Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(Oc2cc(Cl)cc(C(=O)Nc3cccnc3)c2)cc1 |
MW: | 403.847 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 111.38 |
cLogP: | 3.427 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-7098f804-18
0.732
CHR-SOS-7098f804-22
0.731
CHR-SOS-7098f804-15
0.465
CHR-SOS-363cfb78-4
0.442
CHR-SOS-7098f804-12
0.442
CHR-SOS-70e4c98a-11
0.420
KEI-TRE-d5e2018a-90
0.418
CHR-SOS-7098f804-17
0.417
MAR-TRE-2fd8122f-5
0.415
CHR-SOS-70e4c98a-2
0.394
MAR-TRE-2fd8122f-58
0.375
CHR-SOS-7098f804-16
0.374
CHR-SOS-7098f804-11
0.373
CHR-SOS-70e4c98a-7
0.372
MAR-TRE-04c86cea-65
0.371
MAR-TRE-2fd8122f-34
0.370
KEI-TRE-d5e2018a-91
0.368
AGN-NEW-891393a6-1
0.368
KEI-TRE-d5e2018a-38
0.367
CHR-SOS-70e4c98a-9
0.365
KEI-TRE-d5e2018a-32
0.363
MAR-TRE-3e4e6814-34
0.363
KEI-TRE-d5e2018a-70
0.361
AGN-NEW-891393a6-2
0.360
MAR-TRE-f6f5f473-29
0.359
KEI-TRE-d5e2018a-28
0.359
KEI-TRE-d5e2018a-86
0.358
CHR-SOS-70e4c98a-4
0.357
MAR-TRE-2fd8122f-40
0.356
MAR-TRE-2fd8122f-37
0.356
CHA-MCP-85291e1d-4
0.356
SAD-SAT-f25ee457-8
0.356
MAR-TRE-2fd8122f-82
0.355
MAR-TRE-2fd8122f-85
0.354
CHA-MCP-85291e1d-2
0.352
MAR-TRE-2fd8122f-65
0.351
CHR-SOS-70e4c98a-12
0.350
WAR-XCH-eb7b662f-3
0.350
KEI-TRE-d5e2018a-22
0.347
MAR-TRE-f6f5f473-75
0.347
KEI-TRE-d5e2018a-84
0.347
MAR-TRE-2fd8122f-78
0.345
KEI-TRE-d5e2018a-10
0.344
SAD-SAT-f25ee457-7
0.344
MAR-TRE-2fd8122f-22
0.344
MAR-TRE-2fd8122f-31
0.344
MAR-TRE-f6f5f473-79
0.344
KEI-TRE-d5e2018a-56
0.343
TAM-UNI-c140e31a-12
0.343
CHR-SOS-363cfb78-5
0.343
CHR-SOS-7098f804-13
0.341
MAR-TRE-2fd8122f-76
0.340
MAR-TRE-2fd8122f-24
0.340
TAM-UNI-c140e31a-14
0.340
MAR-TRE-2fd8122f-52
0.337
TAM-UNI-c140e31a-13
0.337
KEI-TRE-d5e2018a-71
0.333
CHR-SOS-7098f804-14
0.333
MAR-TRE-2fd8122f-59
0.333
TAM-UNI-c140e31a-1
0.333
TAM-UNI-c140e31a-7
0.330
MAR-TRE-04c86cea-17
0.330
WAR-XCH-eb7b662f-2
0.330
WAR-XCH-eb7b662f-4
0.329
DAR-DIA-23aa0b97-15
0.329
MAR-TRE-2fd8122f-70
0.327
TAM-UNI-c140e31a-6
0.327
KEI-TRE-d5e2018a-100
0.327
SAD-SAT-135344c3-10
0.326
AGN-NEW-891393a6-4
0.326
WAR-XCH-eb7b662f-5
0.326
DAR-DIA-23aa0b97-14
0.325
JOR-UNI-2fc98d0b-7
0.325
WAR-XCH-eb7b662f-7
0.325
JAN-GHE-83b26c96-19
0.325
MAR-TRE-67513f76-81
0.324
ALB-THE-e2bfce8e-1
0.324
KEI-TRE-d5e2018a-53
0.324
MAR-TRE-d0525fbf-55
0.324
KEI-TRE-d5e2018a-61
0.323
KEI-TRE-d5e2018a-9
0.320
KEI-TRE-d5e2018a-82
0.320
KEI-TRE-d5e2018a-36
0.320
CHR-SOS-e960e883-3
0.320
CHR-SOS-70e4c98a-5
0.320
MAR-TRE-2fd8122f-89
0.320
CHA-MCP-85291e1d-5
0.319
DAR-DIA-23aa0b97-16
0.318
MAT-POS-9ff17035-3
0.317
MAR-TRE-4b834d9a-43
0.316
KEI-TRE-d5e2018a-58
0.316
MAK-UNK-ca11b4f7-1
0.316
ANT-DIA-3c79be55-4
0.315
MAR-TRE-2fd8122f-11
0.314
EDG-MED-0da5ad92-2
0.314
MAR-TRE-4b834d9a-67
0.314
MAK-UNK-a7b37c5e-4
0.313
CHR-SOS-e960e883-2
0.313
KEI-TRE-d5e2018a-33
0.311
CHR-SOS-363cfb78-8
0.311