Molecular Properties | |
SMILES: | NS(=O)(=O)c1cccc(Oc2cc(Cl)cc(C(=O)Nc3cccnc3)c2)c1 |
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-7098f804-19
0.731
CHR-SOS-7098f804-18
0.658
CHR-SOS-7098f804-17
0.562
CHR-SOS-363cfb78-5
0.469
CHR-SOS-70e4c98a-7
0.451
CHR-SOS-7098f804-12
0.443
CHR-SOS-70e4c98a-9
0.441
CHR-SOS-70e4c98a-4
0.432
CHR-SOS-70e4c98a-12
0.423
CHA-MCP-85291e1d-4
0.404
CHA-MCP-85291e1d-2
0.402
CHR-SOS-7098f804-15
0.402
MAR-TRE-04c86cea-65
0.388
KEI-TRE-d5e2018a-90
0.386
CHR-SOS-7098f804-11
0.376
KEI-TRE-d5e2018a-28
0.376
MAR-TRE-f6f5f473-29
0.376
SAD-SAT-135344c3-10
0.372
AGN-NEW-891393a6-1
0.371
CHR-SOS-e960e883-3
0.365
KEI-TRE-d5e2018a-22
0.365
AGN-NEW-891393a6-2
0.364
MAR-TRE-2fd8122f-5
0.360
CHR-SOS-e960e883-2
0.357
KEI-TRE-d5e2018a-91
0.357
STU-CHA-91df9a40-1
0.350
CHR-SOS-e960e883-1
0.350
KEI-TRE-d5e2018a-70
0.350
CHR-SOS-363cfb78-6
0.349
MAR-TRE-2fd8122f-58
0.348
CHR-SOS-7098f804-16
0.347
KEI-TRE-d5e2018a-86
0.347
KEI-TRE-d5e2018a-56
0.347
MAR-TRE-2fd8122f-40
0.346
SAD-SAT-f25ee457-8
0.344
MAR-TRE-2fd8122f-34
0.344
MAR-TRE-2fd8122f-82
0.344
WAR-XCH-eb7b662f-3
0.337
MAR-TRE-3e4e6814-34
0.337
KEI-TRE-d5e2018a-32
0.337
KEI-TRE-d5e2018a-71
0.337
MAR-TRE-2fd8122f-71
0.336
CHR-SOS-70e4c98a-11
0.333
CHR-SOS-363cfb78-4
0.333
MAR-TRE-2fd8122f-78
0.333
TAM-UNI-c140e31a-12
0.333
SAD-SAT-f25ee457-7
0.333
TAM-UNI-c140e31a-6
0.330
TAM-UNI-c140e31a-14
0.330
MAR-TRE-2fd8122f-24
0.330
MAR-TRE-2fd8122f-76
0.330
CHR-SOS-7098f804-13
0.330
MAR-TRE-2fd8122f-37
0.330
JAN-GHE-83b26c96-19
0.329
DAR-DIA-23aa0b97-14
0.329
JOR-UNI-2fc98d0b-7
0.329
WAR-XCH-eb7b662f-7
0.329
ALB-THE-e2bfce8e-1
0.327
TAM-UNI-c140e31a-13
0.327
MAR-TRE-2fd8122f-65
0.327
TAM-UNI-c140e31a-1
0.324
MAR-TRE-2fd8122f-59
0.324
KEI-TRE-d5e2018a-82
0.324
MAR-TRE-f6f5f473-75
0.323
CHR-SOS-7098f804-14
0.323
CHA-MCP-85291e1d-5
0.323
TAM-UNI-c140e31a-7
0.320
MAR-TRE-2fd8122f-22
0.320
MAR-TRE-f6f5f473-79
0.320
MAR-TRE-2fd8122f-31
0.320
MAR-TRE-4b834d9a-43
0.320
KEI-TRE-d5e2018a-58
0.320
WAR-XCH-eb7b662f-2
0.319
WAR-XCH-eb7b662f-4
0.318
EDG-MED-0da5ad92-2
0.318
DAR-DIA-23aa0b97-15
0.318
KEI-TRE-d5e2018a-100
0.317
MAR-TRE-2fd8122f-85
0.317
KEI-TRE-d5e2018a-19
0.316
WAR-XCH-eb7b662f-5
0.315
MAR-TRE-2fd8122f-52
0.314
ADA-UNI-f8e79267-8
0.314
CHR-SOS-70e4c98a-2
0.314
MAR-TRE-67513f76-81
0.312
MAR-TRE-7f7bb9f0-74
0.311
ADA-UNI-f8e79267-9
0.311
KEI-TRE-d5e2018a-84
0.311
MAR-TRE-3e4e6814-45
0.310
KEI-TRE-d5e2018a-36
0.310
MAR-TRE-b77b7921-70
0.307
MAR-TRE-4b834d9a-57
0.307
MAR-TRE-04c86cea-17
0.307
KEI-TRE-d5e2018a-10
0.307
MAK-UNK-a7b37c5e-1
0.307
DAR-DIA-23aa0b97-16
0.307
MAR-TRE-2fd8122f-11
0.306
KEI-TRE-d5e2018a-99
0.305
MAR-TRE-67513f76-32
0.305
MAR-TRE-2fd8122f-70
0.305
ANT-DIA-3c79be55-4
0.304