Molecular Properties | |
SMILES: | COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1OC |
MW: | 441.14 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 97.83 |
cLogP: | 3.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6996128009 |
MolPort: | MolPort-001-970-111 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-87
0.808
KEI-TRE-d5e2018a-50
0.778
KEI-TRE-d5e2018a-88
0.747
MAR-TRE-74c6519b-56
0.747
KEI-TRE-d5e2018a-18
0.714
KEI-TRE-d5e2018a-78
0.648
KEI-TRE-d5e2018a-59
0.625
KEI-TRE-d5e2018a-33
0.618
MAR-TRE-d0525fbf-92
0.598
KEI-TRE-d5e2018a-95
0.598
KEI-TRE-d5e2018a-84
0.593
KEI-TRE-d5e2018a-64
0.573
KEI-TRE-d5e2018a-39
0.559
KEI-TRE-d5e2018a-54
0.558
KEI-TRE-d5e2018a-93
0.543
MAR-TRE-4b834d9a-79
0.521
MAR-TRE-7f7bb9f0-6
0.506
KEI-TRE-d5e2018a-31
0.485
KEI-TRE-d5e2018a-46
0.485
KEI-TRE-d5e2018a-2
0.479
KEI-TRE-d5e2018a-80
0.462
KEI-TRE-d5e2018a-4
0.441
MAR-TRE-2fd8122f-98
0.438
KEI-TRE-d5e2018a-1
0.437
KEI-TRE-d5e2018a-7
0.435
MAR-TRE-4b834d9a-16
0.435
KEI-TRE-d5e2018a-65
0.432
KEI-TRE-d5e2018a-89
0.429
KEI-TRE-d5e2018a-92
0.419
MAR-TRE-3e4e6814-50
0.393
MAR-TRE-2fd8122f-2
0.387
KEI-TRE-d5e2018a-66
0.383
MAR-TRE-7f7bb9f0-90
0.378
KEI-TRE-d5e2018a-100
0.378
MAR-TRE-67513f76-81
0.373
JOH-IMS-62aeb97d-5
0.364
MAR-TRE-f6f5f473-23
0.364
MAR-TRE-2fd8122f-11
0.362
MAR-TRE-2fd8122f-35
0.362
MAR-TRE-74c6519b-63
0.360
MAR-TRE-2fd8122f-6
0.360
MAR-TRE-d0525fbf-55
0.359
KEI-TRE-d5e2018a-53
0.359
MAR-TRE-3e4e6814-6
0.357
MAR-TRE-2fd8122f-74
0.355
KEI-TRE-d5e2018a-24
0.351
MAR-TRE-7f7bb9f0-49
0.348
CHA-MCP-85291e1d-2
0.348
MAR-TRE-7f7bb9f0-16
0.347
KEI-TRE-d5e2018a-27
0.347
MAK-UNK-ca11b4f7-1
0.346
KEI-TRE-d5e2018a-14
0.344
ALE-HEI-f28a35b5-5
0.341
MAK-UNK-009ebe36-3
0.340
WAR-XCH-6eb0722e-6
0.340
MAR-TRE-d0525fbf-33
0.340
MAR-TRE-b77b7921-40
0.339
MAR-TRE-2fd8122f-37
0.337
CHA-MCP-85291e1d-4
0.337
MAR-TRE-67513f76-55
0.337
ALE-MCD-4ac17b19-1
0.337
WAR-XCH-6eb0722e-5
0.337
KEI-TRE-d5e2018a-49
0.337
SAD-SAT-cefd50cc-7
0.336
MAR-TRE-2fd8122f-17
0.333
TAM-UNI-c140e31a-13
0.333
MAR-TRE-04c86cea-97
0.333
SAN-PRS-52b81272-2
0.333
KEI-TRE-d5e2018a-67
0.333
MAR-TRE-9c797165-95
0.330
KEI-TRE-d5e2018a-71
0.330
CHR-SOS-70e4c98a-5
0.330
MAR-TRE-f6f5f473-46
0.330
KEI-TRE-d5e2018a-34
0.330
KEI-TRE-d5e2018a-29
0.330
MAR-TRE-67513f76-93
0.330
SAD-SAT-24589cd1-4
0.329
MAR-TRE-2fd8122f-55
0.327
MAR-TRE-2fd8122f-83
0.327
MAR-TRE-2fd8122f-5
0.327
TAM-UNI-c140e31a-7
0.327
CHR-SOS-70e4c98a-7
0.327
CHR-SOS-70e4c98a-11
0.327
MAR-TRE-2fd8122f-58
0.326
KEI-TRE-d5e2018a-17
0.326
MAR-TRE-2fd8122f-78
0.326
MED-UNK-e6e8ef8a-5
0.326
DAR-DIA-842b4336-12
0.326
MAR-TRE-2fd8122f-100
0.324
TAM-UNI-c140e31a-6
0.324
MAR-TRE-04c86cea-51
0.324
MAR-TRE-2fd8122f-76
0.323
MAR-TRE-7f7bb9f0-46
0.323
DAR-DIA-23aa0b97-17
0.323
MED-UNK-e6e8ef8a-3
0.322
DAR-DIA-842b4336-16
0.322
WAR-XCH-eb7b662f-6
0.322
AUS-ARG-7cfdce8f-11
0.322
ALE-HEI-f28a35b5-14
0.321
MAR-TRE-2fd8122f-25
0.321