Sanitize It Yourself
Login with Twitter
Molecule Viewer
― CBLB_895
Filter
Rule of Five (Ro5)
PAINS
MCF
👎
👍
Substructure search
👎 to all
👍 to all
Clear Evaluations
Export
Rendering molecules...
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=N3)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=CC=C3)C(C)(C)C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=CC=C3)CCO
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC(C)(C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)CO
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC(=CC(=N3)C(F)(F)F)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC(=CC(=N3)C(F)(F)F)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC(=CC(=N3)C(F)(F)F)C(C)(C)O
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
COC1=CC(=NC(=C1)C(=O)NC2=CC(=CC=C2)C(C)CC3=NN=C[N]3C)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC(=CC(=N3)C(F)(F)F)C4(O)COC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC(=C(Cl)C=N3)C(C)(C)O
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CN=CC(=N3)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=C(CO)C=C3)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CNCC1=C(N=C(C=C1)C(=O)NC2=CC(=CC=C2)C(C)CC3=NN=C[N]3C)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(C(O)C1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=C(C)C=C3)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(C1=CC(=CC=C1)NC(=O)C2=NC(=C(C)C=C2)C3CC3)C(F)(F)C4=NN=C[N]4C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(C1=CC(=CC=C1)NC(=O)C2=NC(=C(CO)C=C2)C3CC3)C(F)(F)C4=NN=C[N]4C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=CC(=C3)[S](C)(=O)=O)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=CC(=C3)[S](C)(=O)=O)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=CC(=C3)[S](N)(=O)=O)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CN[S](=O)(=O)C1=CC(=NC(=C1)C(F)(F)F)C(=O)NC2=CC(=CC=C2)C(C)CC3=NN=C[N]3C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)[S](C)(=O)=O
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=NC=C3)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C2CC2C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC(C)(C)C2=CC=CC(=C2)NC(=O)C3=NC(=NC(=C3)C)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(CCC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=NC(=C3)C)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=NC(=C3)C)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=NC(=C3)C4CC4)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC(=CC=C2)NC(=O)C3=NC(=NC(=C3)C)C4CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C2(CC2)C3=CC(=CC=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(CC(F)(F)C2)C3=CC(=CC=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC=NC(=N3)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC(=NC(=N3)C(F)(F)F)C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC(C)(C)C2=CC=CC(=C2)NC(=O)C3=CC=NC(=N3)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C)C5CCC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C5CC5)C6CC6
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC(=CC(=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5)C6CC6
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(CCOC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(CCOC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC1=CC(=NC(=N1)C2CC2)C(=O)NC3=CC=CC(=C3)C4(COC4)CC5=NN=C[N]5C(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC=NC(=N4)C(F)(F)F
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC(=N4)C(F)(F)F)C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC(=N4)C(F)(F)F)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=CC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)C2(COC2)C3=CC(=CC=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)C2(COC2)C3=CC(=CC=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C2(COC2)C3=CC(=CC=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
COC1=CC(=NC(=N1)C2CC2)C(=O)NC3=CC(=CC=C3)C4(COC4)CC5=NN=C[N]5C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CCOC1=CC(=CC(=C1)NC(=O)C2=NC(=NC(=C2)C)C3CC3)C4(COC4)CC5=NN=C[N]5C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C2=C(CCC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CN(C)CC1=CC(=NC(=N1)C2CC2)C(=O)NC3=CC(=CC=C3)C4(COC4)CC5=NN=C[N]5C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)CN5CCC5)C6CC6
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)CN5CCCCC5)C6CC6
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(N1CCCC1)C2=CC(=NC(=N2)C3CC3)C(=O)NC4=CC(=CC=C4)C5(COC5)CC6=NN=C[N]6C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)CN5CCC(O)C5)C6CC6
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC(=N4)C5CC5)CN6CCC(F)C6
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC(=N4)C(F)(F)F)CN5CCC(F)C5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(N1CC(F)C1)C2=NC(=NC(=C2)C(=O)NC3=CC(=CC=C3)C4(COC4)CC5=NN=C[N]5C)C6CC6
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=CC(=C4)CN5CCC(F)C5)C6CC6
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC1CN(CCO1)CC2=CC(=NC(=C2)C3CC3)C(=O)NC4=CC(=CC=C4)C5(COC5)CC6=NN=C[N]6C
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=CC(=C4)CN5CCC6(CC6)C5)C7CC7
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(N1CCC2(CC2)C1)C3=CC(=NC(=N3)C4CC4)C(=O)NC5=CC(=CC=C5)C6(COC6)CC7=NN=C[N]7C
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(N1CCC2(CC2)C1)C3=CC(=NC(=N3)C4CC4)C(=O)NC5=CC(=CC=C5)C6(COC6)CC7=NN=C[N]7C
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C[N]5C=CN=N5)C6CC6
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)OC4CCC(O)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)OC4CCC(O)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)OC4CCC(O)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=CC(=C4)OC(F)F)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC1CC(O)CN1C(=O)C2=CC(=NC=C2)C(=O)NC3=CC(=CC=C3)C(C)CC4=NN=C[N]4C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC1CC(O)CN1C(=O)C2=CC(=NC=C2)C(=O)NC3=CC(=CC=C3)C(C)CC4=NN=C[N]4C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC[N]1C=NN=C1CC(C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CC(O)CC4C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC(C)(O)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=CC(=C3)C(=O)N4CCC(O)C4)C5CC5
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CC(O)C(C)(C)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC(O)C4(C)C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CC(CO)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(O)C1CN(C1)C(=O)C2=CC(=NC=C2)C(=O)NC3=CC(=CC=C3)C(C)CC4=NN=C[N]4C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC(CO)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC(C)(O)CC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CC(O)C(F)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CC(O)C(F)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CC(O)C(F)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CC(O)C(F)(F)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC(=CC(=N3)C(F)(F)F)C(=O)N4CCC(O)C4
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1CC(C)(C)C2=CC=CC(=C2)NC(=O)C3=CC(=CC(=N3)C(F)(F)F)C(=O)N4CCC(O)C4
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC(C)(N)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC(C)(N)C4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CNC1CCN(C1)C(=O)C2=CC(=NC=C2)C(=O)NC3=CC(=CC=C3)C(C)CC4=NN=C[N]4C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CNC1CCN(C1)C(=O)C2=CC(=NC=C2)C(=O)NC3=CC(=CC=C3)C(C)CC4=NN=C[N]4C
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCNCC4
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC(C4)C#N
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC(C4)C#N
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CC(C4)[S](C)(=O)=O
Ro5
👎
👍
Details
Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)NC4CCC(O)C4
Ro5
👎
👍
«
1
2
3
4
5
6
7
8
9
»