Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cc3cccc4ccccc34)s2)CC1 |
MW: | 448.997 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 57.69 |
cLogP: | 3.5638 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-15
MED-COV-4280ac29-5
0.602
DRR-IMP-db50bf6e-4
0.500
AAR-POS-0daf6b7e-15
0.474
AAR-POS-d2a4d1df-40
0.469
MED-COV-4280ac29-31
0.469
NIM-UNI-05f93fcc-1
0.468
NIM-UNI-05f93fcc-2
0.464
NIM-UNI-05f93fcc-3
0.437
NIM-UNI-05f93fcc-13
0.437
NIM-UNI-05f93fcc-11
0.435
DRR-IMP-dff87f5e-4
0.429
NIM-UNI-310206f0-69
0.425
NIM-UNI-05f93fcc-14
0.425
NIM-UNI-05f93fcc-15
0.422
MAK-UNK-e05327b2-3
0.418
MAR-TRE-6a44bbf2-52
0.418
AAR-POS-d2a4d1df-22
0.418
LON-WEI-8f408cad-3
0.418
NIM-UNI-05f93fcc-5
0.416
NIM-UNI-05f93fcc-16
0.412
MAK-UNK-7c9d1431-9
0.410
MAR-TRE-6a44bbf2-21
0.410
MAK-UNK-10799360-35
0.408
DRR-IMP-dff87f5e-2
0.407
MAK-UNK-7c9d1431-3
0.407
NIM-UNI-05f93fcc-6
0.407
NIM-UNI-05f93fcc-9
0.407
NIM-UNI-05f93fcc-10
0.407
NIM-UNI-310206f0-70
0.404
NIM-UNI-05f93fcc-7
0.400
NIM-UNI-310206f0-67
0.400
MAK-UNK-e05327b2-1
0.400
NIM-UNI-310206f0-68
0.398
NIM-UNI-05f93fcc-17
0.396
NIM-UNI-310206f0-71
0.396
LON-WEI-8f408cad-2
0.395
AAR-POS-d2a4d1df-32
0.395
MAR-TRE-6a44bbf2-4
0.395
MAK-UNK-6ca90168-1
0.393
MAK-UNK-69bf97dd-3
0.392
NIM-UNI-05f93fcc-12
0.390
AAR-POS-d2a4d1df-34
0.386
MAR-TRE-6a44bbf2-8
0.386
DRR-IMP-dff87f5e-5
0.386
MAK-UNK-e05327b2-7
0.383
MAK-UNK-e05327b2-2
0.383
SAD-SAT-f2e2579e-3
0.380
MAK-UNK-7c9d1431-12
0.378
NIM-UNI-05f93fcc-4
0.378
MAR-TRE-6a44bbf2-18
0.373
AAR-POS-d2a4d1df-23
0.373
BEN-DND-03406596-10
0.373
LON-WEI-8f408cad-4
0.373
MAR-TRE-6a44bbf2-7
0.368
AAR-POS-d2a4d1df-37
0.368
MAR-TRE-6a44bbf2-65
0.368
MAK-UNK-7c9d1431-11
0.368
TAT-ENA-80bfd3e5-43
0.368
MAK-UNK-e05327b2-6
0.368
DAR-DIA-fb20be43-2
0.367
SAD-SAT-3a925b8b-2
0.366
MAT-POS-ee51dedd-2
0.366
DRR-IMP-db50bf6e-5
0.366
DRR-IMP-dff87f5e-8
0.365
BEN-DND-03406596-5
0.364
BEN-DND-76ad4ac9-13
0.364
PAU-UNI-19862c28-1
0.363
DAR-DIA-fb20be43-8
0.363
SAD-SAT-3a925b8b-3
0.361
MAK-UNK-e05327b2-5
0.360
NIM-UNI-05f93fcc-8
0.359
PAU-UNI-b2b6b158-1
0.356
DAR-DIA-fb20be43-9
0.354
AAR-POS-d2a4d1df-44
0.354
DRR-IMP-dff87f5e-3
0.354
SAD-SAT-bc31ec01-5
0.354
MAK-UNK-c74072e5-8
0.353
MAK-UNK-7c9d1431-17
0.353
PEI-IMP-ca0b2813-1
0.353
MAK-UNK-7c9d1431-27
0.353
DAR-DIA-fb20be43-7
0.351
DRR-IMP-dff87f5e-1
0.349
AAR-POS-d2a4d1df-27
0.349
MAR-LAB-efb042c5-5
0.349
DRR-IMP-dff87f5e-7
0.349
MAR-TRE-6a44bbf2-58
0.349
KAY-MCD-d0fe5261-1
0.349
MAR-TRE-6a44bbf2-68
0.349
PEI-IMP-ca0b2813-2
0.349
DAR-DIA-fb20be43-6
0.347
SAD-SAT-3a925b8b-6
0.345
JAY-UNK-11f5bdbd-1
0.345
MAK-UNK-7c9d1431-13
0.345
MAR-TRE-6a44bbf2-78
0.345
MAK-UNK-d4768348-5
0.345
MAK-UNK-d4768348-8
0.345
BEN-DND-03406596-9
0.344
BEN-DND-76ad4ac9-11
0.344
IND-SYN-6c8299e8-2
0.344
MAK-UNK-7c9d1431-4
0.344