Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(C(=O)N2CCCN(S(=O)(=O)c3cccs3)CC2)CC1 |
MW: | 433.09 |
Fraction sp3: | 0.65 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 78.0 |
cLogP: | 1.45 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-6
BEN-DND-03406596-5
0.710
BEN-DND-76ad4ac9-13
0.710
SAD-SAT-f2e2579e-9
0.684
SAD-SAT-9a6c5cf3-2
0.625
AAR-POS-d2a4d1df-22
0.618
MAR-TRE-6a44bbf2-52
0.618
LON-WEI-8f408cad-3
0.618
SAD-SAT-f2e2579e-1
0.571
SAD-SAT-f2e2579e-3
0.562
SAD-SAT-f2e2579e-2
0.556
SAD-SAT-9a6c5cf3-10
0.530
MAK-UNK-69bf97dd-10
0.528
BEN-DND-76ad4ac9-1
0.521
SAD-SAT-f2e2579e-5
0.512
SAD-SAT-f2e2579e-6
0.512
SAD-SAT-f2e2579e-4
0.506
SAD-SAT-9a6c5cf3-7
0.506
SAD-SAT-9a6c5cf3-5
0.500
SAD-SAT-f2e2579e-10
0.494
SAD-SAT-f2e2579e-7
0.489
SAD-SAT-9a6c5cf3-9
0.489
SAD-SAT-9a6c5cf3-6
0.478
MAK-UNK-750cfbcc-3
0.464
MAR-TRE-6a44bbf2-79
0.464
MAK-UNK-6435e6c2-1
0.452
VIR-GIT-7b3d3065-2
0.451
AAR-POS-0daf6b7e-9
0.451
MAK-UNK-750cfbcc-5
0.451
SAD-SAT-9a6c5cf3-4
0.449
MAK-UNK-987948f6-15
0.449
MAK-UNK-10dfa458-4
0.429
BEN-DND-03ad4429-7
0.429
MAK-UNK-10dfa458-26
0.423
BEN-DND-76ad4ac9-14
0.417
BEN-DND-03406596-3
0.417
BEN-DND-03406596-8
0.410
BEN-DND-03406596-2
0.405
BEN-DND-76ad4ac9-12
0.405
DRR-IMP-dff87f5e-4
0.403
BEN-DND-03ad4429-8
0.402
BEN-DND-76ad4ac9-11
0.400
BEN-DND-03406596-9
0.400
BEN-DND-03ad4429-6
0.392
MAK-UNK-750cfbcc-4
0.392
MAR-TRE-6a44bbf2-66
0.392
MAK-UNK-3f402c2b-1
0.388
SAD-SAT-9a6c5cf3-1
0.382
MAK-UNK-704ed37c-1
0.377
AAR-POS-0daf6b7e-15
0.375
BEN-DND-03ad4429-5
0.373
MAK-UNK-69bf97dd-8
0.372
MAK-UNK-704ed37c-3
0.372
MAK-UNK-704ed37c-4
0.372
BEN-DND-03406596-6
0.371
BEN-DND-76ad4ac9-10
0.371
NIM-UNI-05f93fcc-1
0.370
MAK-UNK-7c9d1431-12
0.370
MAK-UNK-7c9d1431-9
0.367
MAR-TRE-6a44bbf2-21
0.367
MAK-UNK-69bf97dd-7
0.365
MAT-POS-ee51dedd-2
0.358
SAD-SAT-b55127ae-3
0.355
NIM-UNI-310206f0-70
0.354
LON-WEI-8f408cad-2
0.354
MAR-TRE-6a44bbf2-4
0.354
AAR-POS-d2a4d1df-32
0.354
SAD-SAT-3a925b8b-3
0.354
NIM-UNI-05f93fcc-13
0.352
NIM-UNI-05f93fcc-3
0.352
MAK-UNK-704ed37c-7
0.350
MAK-UNK-7c9d1431-22
0.349
NIM-UNI-05f93fcc-5
0.348
MAK-UNK-69bf97dd-9
0.347
SAD-SAT-5b1897b2-9
0.347
MAK-UNK-704ed37c-6
0.346
PEI-IMP-ca0b2813-1
0.345
MAK-UNK-c74072e5-8
0.345
MAK-UNK-7c9d1431-17
0.345
LON-WEI-120e5cf5-5
0.345
AAR-POS-d2a4d1df-34
0.345
MAR-TRE-6a44bbf2-8
0.345
DRR-IMP-dff87f5e-5
0.345
NIM-UNI-05f93fcc-2
0.344
MAK-UNK-69bf97dd-3
0.343
MAK-UNK-69bf97dd-1
0.343
PEI-IMP-ca0b2813-2
0.341
DRR-IMP-db50bf6e-5
0.341
BEN-DND-76ad4ac9-9
0.341
BEN-DND-03406596-1
0.341
NIM-UNI-310206f0-69
0.341
NIM-UNI-05f93fcc-6
0.340
SAD-SAT-2ceae68f-4
0.340
SAD-SAT-9a6c5cf3-3
0.340
MAK-UNK-212f693e-32
0.337
JAY-UNK-11f5bdbd-1
0.337
YOI-UNK-15f562e8-2
0.337
SAD-SAT-3a925b8b-6
0.337
PEI-IMP-ca0b2813-3
0.337
IND-SYN-6c8299e8-2
0.337
MAR-TRE-04c86cea-49
0.337