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
AAR-POS-0daf6b7e-3
0.548
MAR-TRE-6a44bbf2-13
0.548
AAR-POS-d2a4d1df-36
0.507
MAT-POS-b5746674-51
0.483
AAR-POS-d2a4d1df-34
0.461
MAR-TRE-6a44bbf2-8
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-LAB-efb042c5-5
0.440
MAR-TRE-6a44bbf2-68
0.440
AAR-POS-d2a4d1df-27
0.440
NIM-UNI-05f93fcc-2
0.434
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
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
BEN-DND-76ad4ac9-11
0.393
MAK-UNK-7c9d1431-3
0.393
MAR-TRE-6a44bbf2-18
0.392
LON-WEI-8f408cad-4
0.392
AAR-POS-d2a4d1df-23
0.392
AAR-POS-d2a4d1df-22
0.385
LON-WEI-8f408cad-3
0.385
MAR-TRE-6a44bbf2-52
0.385
AAR-POS-d2a4d1df-24
0.380
MAK-UNK-7c9d1431-13
0.380
MAR-TRE-6a44bbf2-78
0.380
MAK-UNK-7c9d1431-24
0.378
NIM-UNI-05f93fcc-6
0.378
MAK-UNK-7c9d1431-22
0.373
MAR-TRE-6a44bbf2-49
0.372
MAK-UNK-7c9d1431-7
0.372
AAR-POS-d2a4d1df-44
0.372
SAD-SAT-bc31ec01-5
0.372
MAK-UNK-7c9d1431-17
0.370
MAK-UNK-7c9d1431-27
0.370
MAK-UNK-7c9d1431-6
0.370
MAK-UNK-7c9d1431-19
0.369
MAK-UNK-c74072e5-4
0.368
MAR-TRE-6a44bbf2-58
0.367
MAT-POS-ee51dedd-2
0.367
AAR-POS-0daf6b7e-15
0.367
MAK-UNK-d4768348-1
0.367
KAY-MCD-d0fe5261-1
0.367
MAK-UNK-d4768348-4
0.367
MAK-UNK-7c9d1431-10
0.366
SAD-SAT-3a925b8b-7
0.366
BEN-DND-76ad4ac9-12
0.365
NIM-UNI-310206f0-69
0.364
BEN-DND-76ad4ac9-10
0.364
NIM-UNI-05f93fcc-14
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
MAK-UNK-7c9d1431-4
0.360
BEN-DND-76ad4ac9-14
0.360
TAT-ENA-80bfd3e5-25
0.360
SAD-SAT-f0a2747f-5
0.360
IND-SYN-6c8299e8-2
0.360
NIM-UNI-05f93fcc-3
0.360
SAD-SAT-9a6c5cf3-10
0.359
MAK-UNK-d4768348-7
0.358
MAK-UNK-d4768348-3
0.358
MAR-TRE-6a44bbf2-24
0.358
MED-COV-4280ac29-5
0.358
MAR-TRE-6a44bbf2-31
0.356
MAK-UNK-7c9d1431-5
0.356
NIM-UNI-310206f0-67
0.356
MAK-UNK-c74072e5-8
0.354
NIM-UNI-310206f0-71
0.352
SAD-SAT-3a925b8b-9
0.350
SAD-SAT-bc31ec01-4
0.349
MAK-UNK-af83ef51-2
0.349
BEN-DND-76ad4ac9-13
0.349
NIM-UNI-05f93fcc-9
0.348
NIM-UNI-05f93fcc-10
0.348
MAK-UNK-d4768348-2
0.346
MAK-UNK-d4768348-8
0.346
MAK-UNK-d4768348-5
0.346