Molecular Properties | |
SMILES: | Cc1ccc(NCc2ccccc2)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1 |
MW: | 421.95 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 69.72 |
cLogP: | 2.67882 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
WAR-XCH-79d12f6e-6
0.548
MAR-TRE-6a44bbf2-13
0.548
RHE-UNK-eb059eb9-1
0.548
AAR-POS-0daf6b7e-3
0.548
AAR-POS-d2a4d1df-36
0.507
MAT-POS-b5746674-51
0.483
MAR-TRE-6a44bbf2-8
0.461
AAR-POS-d2a4d1df-34
0.461
DRR-IMP-dff87f5e-5
0.461
MAK-UNK-7c9d1431-12
0.453
MAR-TRE-6a44bbf2-28
0.453
MAK-UNK-7c9d1431-23
0.453
MAR-TRE-6a44bbf2-21
0.452
MAK-UNK-7c9d1431-9
0.452
MAR-TRE-6a44bbf2-68
0.440
AAR-POS-d2a4d1df-27
0.440
MAR-LAB-efb042c5-5
0.440
NIM-UNI-05f93fcc-2
0.434
DRR-IMP-db50bf6e-4
0.432
KAT-UNK-b2a0d5b1-1
0.425
NIM-UNI-05f93fcc-11
0.422
AAR-POS-d2a4d1df-37
0.420
MAR-TRE-6a44bbf2-7
0.420
NIM-UNI-05f93fcc-7
0.419
BEN-DND-76ad4ac9-9
0.415
BEN-DND-03406596-1
0.415
DAN-MCD-1c3944e2-1
0.411
MAK-UNK-7c9d1431-8
0.405
MAR-TRE-6a44bbf2-26
0.405
MAK-UNK-7c9d1431-30
0.405
MAR-TRE-6a44bbf2-45
0.405
SAD-SAT-3a925b8b-2
0.403
MAR-TRE-6a44bbf2-65
0.402
MAK-UNK-7c9d1431-11
0.402
TAT-ENA-80bfd3e5-43
0.402
ABB-MCD-f8003a30-1
0.400
MAR-TRE-6a44bbf2-32
0.400
MAR-TRE-6a44bbf2-4
0.397
AAR-POS-d2a4d1df-32
0.397
LON-WEI-8f408cad-2
0.397
DRR-IMP-dff87f5e-4
0.395
PEI-IMP-ca0b2813-4
0.393
BEN-DND-76ad4ac9-11
0.393
DRR-IMP-dff87f5e-2
0.393
MAK-UNK-7c9d1431-3
0.393
BEN-DND-03406596-9
0.393
MAR-TRE-6a44bbf2-18
0.392
BEN-DND-03406596-10
0.392
LON-WEI-8f408cad-4
0.392
AAR-POS-d2a4d1df-23
0.392
PEI-IMP-668afc53-1
0.389
MAR-TRE-6a44bbf2-52
0.385
AAR-POS-d2a4d1df-22
0.385
LON-WEI-8f408cad-3
0.385
DRR-IMP-dff87f5e-8
0.383
MAR-TRE-6a44bbf2-78
0.380
AAR-POS-d2a4d1df-24
0.380
MAK-UNK-7c9d1431-13
0.380
JAY-UNK-11f5bdbd-1
0.380
MAK-UNK-7c9d1431-24
0.378
DRR-IMP-38dce17f-3
0.378
NIM-UNI-05f93fcc-6
0.378
PEI-IMP-ca0b2813-3
0.376
MAK-UNK-7c9d1431-22
0.373
MAK-UNK-7c9d1431-7
0.372
MAR-TRE-6a44bbf2-49
0.372
AAR-POS-d2a4d1df-44
0.372
DRR-IMP-dff87f5e-3
0.372
SAD-SAT-bc31ec01-5
0.372
MAK-UNK-7c9d1431-6
0.370
MAK-UNK-7c9d1431-27
0.370
MAK-UNK-7c9d1431-17
0.370
PEI-IMP-ca0b2813-1
0.370
MAK-UNK-7c9d1431-19
0.369
MAK-UNK-c74072e5-4
0.368
MAT-POS-ee51dedd-2
0.367
MAR-TRE-6a44bbf2-58
0.367
MAK-UNK-d4768348-1
0.367
MAK-UNK-d4768348-4
0.367
PEI-IMP-ca0b2813-2
0.367
AAR-POS-0daf6b7e-15
0.367
KAY-MCD-d0fe5261-1
0.367
DRR-IMP-db50bf6e-5
0.367
DRR-IMP-dff87f5e-7
0.367
DRR-IMP-dff87f5e-1
0.367
MAK-UNK-7c9d1431-10
0.366
SAD-SAT-3a925b8b-7
0.366
BEN-DND-76ad4ac9-12
0.365
BAP-BUY-55f8bcae-1
0.365
BEN-DND-03406596-2
0.365
NIM-UNI-05f93fcc-14
0.364
NIM-UNI-310206f0-69
0.364
BEN-DND-76ad4ac9-10
0.364
BEN-DND-03406596-6
0.364
SAD-SAT-2ceae68f-3
0.364
NIM-UNI-05f93fcc-15
0.363
NIM-UNI-05f93fcc-1
0.362
SAD-SAT-bc31ec01-10
0.362
SWA-SYN-6423ea73-2
0.361
SWA-SYN-d2e6fa14-2
0.361