Molecular Properties | |
SMILES: | NS(=O)(=O)c1cccc(Oc2ccc(Cl)cc2C(=O)Nc2cccnc2)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-7098f804-16
0.654
CHR-SOS-7098f804-22
0.562
CHR-SOS-7098f804-11
0.513
CHR-SOS-7098f804-15
0.512
CHR-SOS-363cfb78-5
0.465
CHR-SOS-70e4c98a-7
0.462
CHR-SOS-70e4c98a-9
0.452
CHR-SOS-70e4c98a-4
0.442
CHR-SOS-70e4c98a-12
0.433
CHR-SOS-7098f804-14
0.425
STU-CHA-91df9a40-1
0.417
CHR-SOS-7098f804-19
0.417
CHA-MCP-85291e1d-2
0.414
CHR-SOS-7098f804-12
0.386
CHA-MCP-85291e1d-4
0.385
MAR-TRE-2fd8122f-5
0.384
MAR-TRE-4b834d9a-79
0.379
KEI-TRE-d5e2018a-53
0.376
KEI-TRE-d5e2018a-9
0.374
CHR-SOS-7098f804-13
0.370
SAD-SAT-135344c3-10
0.368
CHR-SOS-e960e883-3
0.361
CHR-SOS-363cfb78-6
0.358
MAR-TRE-04c86cea-65
0.356
MAR-TRE-2fd8122f-55
0.356
CHR-SOS-e960e883-2
0.354
MAR-TRE-2fd8122f-85
0.354
CHR-SOS-7098f804-18
0.351
KEI-TRE-d5e2018a-61
0.350
MAR-TRE-2fd8122f-52
0.350
CHR-SOS-e960e883-1
0.347
KEI-TRE-d5e2018a-39
0.346
EDG-MED-0da5ad92-2
0.345
AGN-NEW-891393a6-2
0.344
CHR-SOS-70e4c98a-11
0.344
KEI-TRE-d5e2018a-10
0.343
DAR-DIA-23aa0b97-14
0.341
WAR-XCH-eb7b662f-7
0.341
JAN-GHE-83b26c96-19
0.341
JOR-UNI-2fc98d0b-7
0.341
SAD-SAT-f25ee457-8
0.340
KEI-TRE-d5e2018a-19
0.340
TAM-UNI-c140e31a-6
0.340
MAR-TRE-2fd8122f-70
0.340
MAR-TRE-7f7bb9f0-74
0.337
AGN-NEW-891393a6-1
0.337
CHA-MCP-85291e1d-5
0.333
KEI-TRE-d5e2018a-76
0.333
KEI-TRE-d5e2018a-13
0.333
KEI-TRE-d5e2018a-47
0.333
ADA-UNI-f8e79267-9
0.333
MAR-TRE-2fd8122f-84
0.333
MAR-TRE-2fd8122f-95
0.333
CHR-SOS-363cfb78-4
0.330
SAD-SAT-f25ee457-7
0.330
MAR-TRE-f6f5f473-29
0.330
KEI-TRE-d5e2018a-28
0.330
KEI-TRE-d5e2018a-99
0.330
MAR-TRE-67513f76-32
0.330
MAR-TRE-2fd8122f-78
0.330
MAK-UNK-a7b37c5e-4
0.329
KEI-TRE-d5e2018a-59
0.327
MAR-TRE-2fd8122f-11
0.327
JOR-UNI-2fc98d0b-2
0.327
KEI-TRE-d5e2018a-44
0.326
MAR-TRE-2fd8122f-37
0.326
MAR-TRE-2fd8122f-25
0.324
KEI-TRE-d5e2018a-33
0.324
MAR-TRE-2fd8122f-1
0.324
TAM-UNI-c140e31a-13
0.324
CHR-SOS-70e4c98a-2
0.324
ADA-UNI-f8e79267-8
0.324
KEI-TRE-d5e2018a-31
0.322
KEI-TRE-d5e2018a-84
0.320
MAR-TRE-2fd8122f-59
0.320
KEI-TRE-d5e2018a-22
0.320
DAR-DIA-23aa0b97-16
0.318
MAR-TRE-2fd8122f-40
0.318
KEI-TRE-d5e2018a-93
0.318
WAR-XCH-eb7b662f-3
0.318
CHR-SOS-7098f804-7
0.318
TAM-UNI-c140e31a-7
0.317
TAM-UNI-c140e31a-12
0.317
MAR-TRE-2fd8122f-4
0.317
CHR-SOS-1f323c23-11
0.317
MAR-TRE-7f7bb9f0-6
0.317
MAR-TRE-04c86cea-17
0.317
KEI-TRE-d5e2018a-16
0.317
KEI-TRE-d5e2018a-54
0.317
MAR-TRE-2fd8122f-58
0.316
TAM-UNI-c140e31a-14
0.314
DAR-DIA-23aa0b97-15
0.314
KEI-TRE-d5e2018a-91
0.314
ADA-UNI-f8e79267-11
0.313
ADA-UNI-f8e79267-12
0.313
MAR-TRE-2fd8122f-76
0.313
ALB-THE-e2bfce8e-1
0.312
MAR-TRE-d0525fbf-55
0.311
KEI-TRE-d5e2018a-64
0.311
CHR-SOS-1f323c23-8
0.311