Molecular Properties | |
SMILES: | COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl |
MW: | 445.09 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.6 |
cLogP: | 3.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8409038756 |
MolPort: | MolPort-001-987-976 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-59
0.812
KEI-TRE-d5e2018a-75
0.778
KEI-TRE-d5e2018a-54
0.722
MAR-TRE-74c6519b-56
0.687
KEI-TRE-d5e2018a-88
0.687
KEI-TRE-d5e2018a-18
0.640
KEI-TRE-d5e2018a-78
0.633
KEI-TRE-d5e2018a-87
0.625
KEI-TRE-d5e2018a-84
0.616
KEI-TRE-d5e2018a-33
0.587
MAR-TRE-4b834d9a-79
0.559
KEI-TRE-d5e2018a-95
0.549
MAR-TRE-d0525fbf-92
0.549
KEI-TRE-d5e2018a-39
0.547
KEI-TRE-d5e2018a-64
0.543
KEI-TRE-d5e2018a-31
0.520
KEI-TRE-d5e2018a-93
0.516
KEI-TRE-d5e2018a-46
0.475
KEI-TRE-d5e2018a-2
0.469
KEI-TRE-d5e2018a-89
0.467
MAR-TRE-7f7bb9f0-6
0.462
MAR-TRE-2fd8122f-98
0.444
KEI-TRE-d5e2018a-4
0.432
KEI-TRE-d5e2018a-1
0.429
MAR-TRE-4b834d9a-16
0.426
KEI-TRE-d5e2018a-7
0.426
KEI-TRE-d5e2018a-65
0.423
MAR-TRE-2fd8122f-11
0.422
MAR-TRE-3e4e6814-50
0.385
KEI-TRE-d5e2018a-92
0.381
MAR-TRE-2fd8122f-35
0.368
KEI-TRE-d5e2018a-53
0.365
MAR-TRE-2fd8122f-2
0.365
KEI-TRE-d5e2018a-80
0.364
MAR-TRE-67513f76-81
0.364
MAK-UNK-009ebe36-3
0.360
KEI-TRE-d5e2018a-41
0.358
KEI-TRE-d5e2018a-100
0.356
MAR-TRE-7f7bb9f0-90
0.355
JOH-IMS-62aeb97d-5
0.354
MAK-UNK-ca11b4f7-1
0.354
MAR-TRE-2fd8122f-6
0.353
MAK-UNK-a7b37c5e-1
0.352
KEI-TRE-d5e2018a-66
0.351
MAR-TRE-2fd8122f-25
0.351
KEI-TRE-d5e2018a-14
0.351
MAR-TRE-2fd8122f-4
0.346
MAR-TRE-d0525fbf-33
0.346
MAR-TRE-2fd8122f-55
0.346
ALE-MCD-4ac17b19-1
0.343
KEI-TRE-d5e2018a-24
0.343
MAR-TRE-f6f5f473-23
0.343
MAR-TRE-2fd8122f-70
0.343
MAR-TRE-7f7bb9f0-74
0.341
MAR-TRE-7f7bb9f0-49
0.341
CHA-MCP-85291e1d-2
0.340
TAM-UNI-c140e31a-13
0.340
MAR-TRE-2fd8122f-1
0.340
MAR-TRE-d0525fbf-55
0.340
DAR-DIA-23aa0b97-16
0.337
MAR-TRE-423310b6-79
0.337
MAR-TRE-3e4e6814-6
0.337
MAR-TRE-f6f5f473-46
0.337
KEI-TRE-d5e2018a-16
0.333
EDG-MED-0da5ad92-2
0.333
MAK-UNK-a7b37c5e-4
0.333
MAR-TRE-2fd8122f-78
0.333
CHR-SOS-70e4c98a-7
0.333
MAR-TRE-2fd8122f-5
0.333
MAR-TRE-b77b7921-40
0.333
TAM-UNI-c140e31a-7
0.333
WIL-UNI-1faa9b10-8
0.330
MAR-TRE-67513f76-55
0.330
MAR-TRE-2fd8122f-37
0.330
CHA-MCP-85291e1d-4
0.330
WAR-XCH-eb7b662f-5
0.330
MAR-TRE-fd17a9b8-92
0.327
KEI-TRE-d5e2018a-67
0.327
CHR-SOS-70e4c98a-9
0.327
MAR-TRE-2fd8122f-17
0.327
KEI-TRE-d5e2018a-27
0.327
MAR-TRE-7f7bb9f0-16
0.327
MAR-TRE-04c86cea-97
0.326
SAN-PRS-52b81272-2
0.326
JAN-GHE-76def03c-1
0.325
MAR-TRE-9c797165-95
0.324
TAM-UNI-c140e31a-1
0.324
CHR-SOS-70e4c98a-5
0.324
KEI-TRE-d5e2018a-29
0.323
KEI-TRE-d5e2018a-45
0.323
MAR-TRE-67513f76-93
0.323
SAD-SAT-24589cd1-4
0.322
MAR-TRE-2fd8122f-40
0.321
KEI-TRE-d5e2018a-56
0.321
WAR-XCH-6eb0722e-6
0.321
CHR-SOS-70e4c98a-4
0.321
MAR-TRE-2fd8122f-83
0.321
MAK-UNK-009ebe36-2
0.320
CHR-SOS-70e4c98a-11
0.320
KEI-TRE-d5e2018a-17
0.320