Molecular Properties | |
SMILES: | COc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c(OC)c1 |
MW: | 365.1 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 97.83 |
cLogP: | 1.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6609104194 |
MolPort: | MolPort-001-909-623 |
Hetero_hetero
KEI-TRE-d5e2018a-2
0.598
KEI-TRE-d5e2018a-93
0.576
KEI-TRE-d5e2018a-54
0.575
KEI-TRE-d5e2018a-89
0.564
KEI-TRE-d5e2018a-84
0.536
KEI-TRE-d5e2018a-87
0.529
KEI-TRE-d5e2018a-64
0.517
MAR-TRE-4b834d9a-79
0.517
KEI-TRE-d5e2018a-92
0.512
MAR-TRE-74c6519b-56
0.512
KEI-TRE-d5e2018a-88
0.512
MAR-TRE-d0525fbf-92
0.506
KEI-TRE-d5e2018a-95
0.506
KEI-TRE-d5e2018a-75
0.506
KEI-TRE-d5e2018a-33
0.495
KEI-TRE-d5e2018a-7
0.494
MAR-TRE-4b834d9a-16
0.494
KEI-TRE-d5e2018a-39
0.489
KEI-TRE-d5e2018a-59
0.484
KEI-TRE-d5e2018a-4
0.482
KEI-TRE-d5e2018a-65
0.471
MAR-TRE-3e4e6814-6
0.471
KEI-TRE-d5e2018a-50
0.462
KEI-TRE-d5e2018a-18
0.462
KEI-TRE-d5e2018a-78
0.457
KEI-TRE-d5e2018a-31
0.450
MAR-TRE-7f7bb9f0-90
0.432
KEI-TRE-d5e2018a-34
0.420
KEI-TRE-d5e2018a-80
0.420
MAR-TRE-67513f76-81
0.418
MAR-TRE-3e4e6814-50
0.415
MAR-TRE-67513f76-55
0.414
KEI-TRE-d5e2018a-27
0.412
MAR-TRE-2fd8122f-98
0.412
MAR-TRE-7f7bb9f0-16
0.412
KEI-TRE-d5e2018a-49
0.409
JOH-IMS-62aeb97d-5
0.406
KEI-TRE-d5e2018a-46
0.388
DAR-DIA-842b4336-16
0.388
MAK-UNK-ca11b4f7-1
0.386
MAR-TRE-2fd8122f-35
0.378
MAK-UNK-a7b37c5e-4
0.377
MAR-TRE-3e4e6814-79
0.376
MED-UNK-e6e8ef8a-6
0.375
KEI-TRE-d5e2018a-14
0.375
CHR-SOS-70e4c98a-5
0.374
MAR-TRE-4b834d9a-73
0.370
MAR-TRE-2fd8122f-37
0.368
MAR-TRE-7f7bb9f0-74
0.366
KEI-TRE-d5e2018a-91
0.366
AGN-NEW-891393a6-1
0.365
MAR-TRE-2fd8122f-11
0.364
DAR-DIA-23aa0b97-16
0.362
KEI-TRE-d5e2018a-67
0.362
KEI-TRE-d5e2018a-53
0.361
MAR-TRE-2fd8122f-2
0.360
MAR-TRE-2fd8122f-25
0.359
KEI-TRE-d5e2018a-1
0.359
ALE-HEI-f28a35b5-5
0.358
DAR-DIA-842b4336-12
0.358
EDG-MED-0da5ad92-2
0.358
MAR-TRE-2fd8122f-57
0.357
MAR-TRE-67513f76-32
0.356
KEI-TRE-d5e2018a-99
0.356
MAR-TRE-2fd8122f-97
0.356
MAR-TRE-b77b7921-85
0.356
CHR-SOS-70e4c98a-11
0.356
ALE-HEI-f28a35b5-14
0.355
CHR-SOS-70e4c98a-7
0.355
MED-UNK-e6e8ef8a-3
0.354
MAR-TRE-2fd8122f-55
0.354
MAR-TRE-7f7bb9f0-46
0.353
KEI-TRE-d5e2018a-44
0.352
KEI-TRE-d5e2018a-24
0.352
SAN-PRS-52b81272-2
0.351
MAR-TRE-7f7bb9f0-49
0.349
MAR-TRE-04c86cea-97
0.349
CHA-MCP-85291e1d-2
0.349
CHR-SOS-70e4c98a-9
0.347
MAR-TRE-d0525fbf-55
0.347
MAR-TRE-74c6519b-19
0.346
KEI-TRE-d5e2018a-66
0.346
SAD-SAT-24589cd1-4
0.346
MAK-UNK-c749d764-17
0.346
DAR-DIA-842b4336-14
0.345
MAR-TRE-67513f76-93
0.345
CHA-MCP-85291e1d-5
0.345
TAM-UNI-c140e31a-10
0.344
KEI-TRE-d5e2018a-29
0.344
KEI-TRE-d5e2018a-40
0.344
KEI-TRE-d5e2018a-47
0.344
KEI-TRE-d5e2018a-76
0.344
MAR-TRE-2fd8122f-42
0.344
MAR-TRE-9c797165-95
0.343
DAR-DIA-842b4336-13
0.341
DAR-DIA-842b4336-11
0.341
MAR-TRE-2fd8122f-78
0.341
CHR-SOS-70e4c98a-6
0.341
ANT-DIA-3c79be55-4
0.341
ASH-UNK-40b46b30-3
0.341