Molecular Properties | |
SMILES: | COc1ccc(CC(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1 |
MW: | 391.12 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 97.83 |
cLogP: | 1.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z31791720 |
Enamine REAL: | Z31791720 |
Mcule: | MCULE-2151282877 |
MolPort: | MolPort-004-283-863 |
Hetero_hetero
KEI-TRE-d5e2018a-53
0.533
MAR-TRE-2fd8122f-55
0.521
MAR-TRE-2fd8122f-94
0.505
MAR-TRE-6a44bbf2-42
0.500
SAD-SAT-135344c3-1
0.484
MAR-TRE-3e4e6814-92
0.473
KEI-TRE-d5e2018a-13
0.468
KEI-TRE-d5e2018a-10
0.452
MAR-TRE-67513f76-51
0.447
MAR-TRE-3e4e6814-34
0.444
KEI-TRE-d5e2018a-32
0.444
KEI-TRE-d5e2018a-61
0.442
KEI-TRE-d5e2018a-22
0.441
KEI-TRE-d5e2018a-9
0.438
KEI-TRE-d5e2018a-52
0.436
MAR-TRE-2fd8122f-15
0.436
MAR-TRE-2fd8122f-31
0.436
DAR-DIA-842b4336-11
0.434
MAR-TRE-2fd8122f-39
0.426
CHA-MCP-85291e1d-2
0.420
EDG-MED-0da5ad92-2
0.417
CHA-MCP-85291e1d-5
0.416
KEI-TRE-d5e2018a-36
0.411
SAD-SAT-24589cd1-4
0.407
MAR-TRE-2fd8122f-37
0.407
MAK-UNK-009ebe36-4
0.404
MAK-UNK-a7b37c5e-4
0.402
SAD-SAT-f25ee457-3
0.400
MAK-UNK-a7b37c5e-5
0.398
MAK-UNK-a7b37c5e-2
0.395
SAN-PRS-52b81272-2
0.395
ANN-UNI-26382800-5
0.393
KEI-TRE-d5e2018a-54
0.392
MAR-TRE-3e4e6814-50
0.389
KEI-TRE-d5e2018a-93
0.388
DAR-DIA-23aa0b97-16
0.388
CHA-MCP-85291e1d-1
0.387
MAR-TRE-f6f5f473-95
0.381
MAR-TRE-7f7bb9f0-6
0.378
DAR-DIA-842b4336-10
0.376
SAD-SAT-65574d3f-8
0.374
AHN-SAT-de2502ba-12
0.374
MAR-TRE-6a44bbf2-20
0.374
MAK-UNK-a7b37c5e-1
0.372
MAK-UNK-c749d764-17
0.372
MAR-TRE-4b834d9a-79
0.371
MAR-TRE-3e4e6814-79
0.370
MAR-TRE-2fd8122f-88
0.370
AHN-SAT-de2502ba-13
0.370
MAR-TRE-6a44bbf2-83
0.370
MAR-TRE-67513f76-81
0.368
KEI-TRE-d5e2018a-50
0.368
DAR-DIA-842b4336-12
0.368
MAR-TRE-2fd8122f-3
0.367
MAR-TRE-67513f76-13
0.366
MAR-TRE-9c797165-95
0.365
MAR-TRE-b77b7921-85
0.365
DAR-DIA-842b4336-16
0.364
MAR-TRE-2fd8122f-96
0.364
MAR-TRE-7f7bb9f0-82
0.364
SAD-SAT-135344c3-3
0.364
MAD-FNM-74857450-1
0.363
DAR-DIA-23aa0b97-17
0.363
KEI-TRE-d5e2018a-75
0.362
MAK-UNK-c749d764-27
0.360
KEI-TRE-d5e2018a-2
0.359
JOH-IMS-62aeb97d-5
0.359
MAK-UNK-ca11b4f7-1
0.359
MAR-TRE-6a44bbf2-100
0.359
AHN-SAT-de2502ba-4
0.359
KEI-TRE-d5e2018a-59
0.358
MAR-TRE-2fd8122f-100
0.358
MAR-TRE-9c797165-14
0.357
SAD-SAT-135344c3-2
0.357
MAR-TRE-7f7bb9f0-81
0.357
MAR-TRE-fd17a9b8-62
0.357
MAR-TRE-9c797165-52
0.355
MAR-TRE-d0525fbf-90
0.355
MAR-TRE-3e4e6814-80
0.355
MAR-TRE-3e4e6814-6
0.354
KEI-TRE-d5e2018a-80
0.354
KEI-TRE-d5e2018a-87
0.352
ALE-HEI-f28a35b5-5
0.352
MED-UNK-e6e8ef8a-6
0.352
DAR-DIA-842b4336-13
0.352
KEI-TRE-d5e2018a-39
0.352
MAR-TRE-2fd8122f-74
0.352
MAR-TRE-d0525fbf-45
0.351
MAR-TRE-3e4e6814-8
0.351
TAM-UNI-c140e31a-7
0.350
MAR-TRE-67513f76-73
0.348
MAR-TRE-9c797165-94
0.347
ALE-MCD-4ac17b19-1
0.347
JOR-UNI-2fc98d0b-1
0.346
SAD-SAT-689b7d5a-7
0.346
KEI-TRE-d5e2018a-49
0.346
MAR-TRE-74c6519b-63
0.345
SAD-SAT-f0a2747f-5
0.344
MAR-TRE-4b834d9a-63
0.343
MAR-TRE-04c86cea-41
0.343