Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3cccc4cc[nH]c34)s2)CC1 |
MW: | 423.05 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 73.48 |
cLogP: | 2.97 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-d2a4d1df-34
NIM-UNI-05f93fcc-3
0.575
NIM-UNI-05f93fcc-5
0.549
NIM-UNI-05f93fcc-2
0.531
NIM-UNI-05f93fcc-4
0.528
NIM-UNI-05f93fcc-11
0.519
NIM-UNI-05f93fcc-14
0.506
NIM-UNI-310206f0-69
0.506
NIM-UNI-05f93fcc-17
0.506
NIM-UNI-05f93fcc-12
0.505
NIM-UNI-05f93fcc-15
0.500
NIM-UNI-310206f0-67
0.494
NIM-UNI-310206f0-71
0.488
NIM-UNI-05f93fcc-10
0.483
NIM-UNI-05f93fcc-6
0.483
NIM-UNI-05f93fcc-13
0.482
NIM-UNI-05f93fcc-7
0.477
NIM-UNI-310206f0-68
0.472
AAR-POS-0daf6b7e-15
0.468
NIM-UNI-05f93fcc-9
0.466
NIM-UNI-05f93fcc-1
0.462
LON-WEI-8f408cad-2
0.425
MAR-TRE-6a44bbf2-4
0.425
AAR-POS-d2a4d1df-32
0.425
MAR-TRE-6a44bbf2-52
0.412
AAR-POS-d2a4d1df-22
0.412
LON-WEI-8f408cad-3
0.412
MAK-UNK-e05327b2-8
0.412
NIM-UNI-05f93fcc-8
0.410
DRR-IMP-dff87f5e-4
0.405
MAK-UNK-c74072e5-6
0.404
BEN-DND-03406596-10
0.386
AAR-POS-d2a4d1df-23
0.386
MAR-TRE-6a44bbf2-18
0.386
LON-WEI-8f408cad-4
0.386
NIM-UNI-310206f0-70
0.385
SAD-SAT-f2e2579e-3
0.376
DRR-IMP-db50bf6e-4
0.375
BEN-DND-03406596-5
0.375
BEN-DND-03406596-2
0.375
BEN-DND-76ad4ac9-13
0.375
BEN-DND-76ad4ac9-12
0.375
DRR-IMP-dff87f5e-2
0.371
MAK-UNK-7c9d1431-3
0.371
MAR-TRE-6a44bbf2-21
0.370
MAK-UNK-7c9d1431-9
0.370
PEI-IMP-668afc53-1
0.368
MAT-POS-ee51dedd-2
0.361
PEI-IMP-ca0b2813-2
0.361
SAD-SAT-3a925b8b-2
0.361
KAY-MCD-d0fe5261-1
0.361
DRR-IMP-dff87f5e-1
0.361
MAR-TRE-6a44bbf2-58
0.361
DRR-IMP-dff87f5e-8
0.360
PEI-IMP-ca0b2813-4
0.358
MAK-UNK-7c9d1431-12
0.357
TAT-ENA-80bfd3e5-25
0.356
MAK-UNK-7c9d1431-4
0.356
BEN-DND-03406596-3
0.356
BEN-DND-76ad4ac9-14
0.356
MAK-UNK-7c9d1431-7
0.352
MAR-TRE-6a44bbf2-49
0.352
AAR-POS-d2a4d1df-44
0.349
DRR-IMP-dff87f5e-3
0.349
MAK-UNK-7c9d1431-6
0.349
MAK-UNK-7c9d1431-17
0.349
AAR-POS-d2a4d1df-34
0.349
PEI-IMP-ca0b2813-1
0.349
DRR-IMP-dff87f5e-5
0.349
MAR-TRE-6a44bbf2-8
0.349
TAT-ENA-80bfd3e5-43
0.348
MAK-UNK-7c9d1431-11
0.348
MAR-TRE-6a44bbf2-65
0.348
AAR-POS-d2a4d1df-27
0.345
MAR-TRE-6a44bbf2-68
0.345
MAR-LAB-efb042c5-5
0.345
DRR-IMP-db50bf6e-5
0.345
DRR-IMP-dff87f5e-7
0.345
ABB-MCD-f8003a30-1
0.345
MAR-TRE-6a44bbf2-32
0.345
MED-UNK-28939ac5-10
0.343
MAK-UNK-7c9d1431-13
0.341
MAR-TRE-6a44bbf2-78
0.341
MAK-UNK-d4768348-2
0.341
JAY-UNK-11f5bdbd-1
0.341
MAK-UNK-d4768348-5
0.341
MAK-UNK-d4768348-8
0.341
PEI-IMP-ca0b2813-3
0.341
IND-SYN-6c8299e8-2
0.341
MED-COV-4280ac29-5
0.340
MAR-TRE-6a44bbf2-31
0.337
MAR-TRE-6a44bbf2-45
0.337
MAK-UNK-7c9d1431-30
0.337
MAK-UNK-7c9d1431-5
0.337
MAK-UNK-7c9d1431-8
0.333
SAD-SAT-bc31ec01-5
0.333
MAR-TRE-6a44bbf2-7
0.333
MAR-TRE-6a44bbf2-26
0.333
SAD-SAT-f2e2579e-9
0.333
DRR-IMP-dff87f5e-6
0.333
DRR-IMP-dff87f5e-9
0.333