Molecular Properties | |
SMILES: | COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)cc1OC |
MW: | 427.12 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 97.83 |
cLogP: | 2.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6209778292 |
MolPort: | MolPort-002-005-286 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-75
0.808
KEI-TRE-d5e2018a-59
0.775
KEI-TRE-d5e2018a-64
0.716
KEI-TRE-d5e2018a-93
0.679
MAR-TRE-4b834d9a-79
0.651
KEI-TRE-d5e2018a-18
0.625
KEI-TRE-d5e2018a-33
0.625
KEI-TRE-d5e2018a-50
0.625
KEI-TRE-d5e2018a-46
0.607
MAR-TRE-74c6519b-56
0.593
KEI-TRE-d5e2018a-88
0.593
KEI-TRE-d5e2018a-95
0.586
MAR-TRE-d0525fbf-92
0.586
KEI-TRE-d5e2018a-84
0.581
KEI-TRE-d5e2018a-39
0.565
KEI-TRE-d5e2018a-54
0.565
KEI-TRE-d5e2018a-78
0.548
MAR-TRE-7f7bb9f0-6
0.529
KEI-TRE-d5e2018a-2
0.468
KEI-TRE-d5e2018a-80
0.467
KEI-TRE-d5e2018a-31
0.462
MAR-TRE-4b834d9a-16
0.440
KEI-TRE-d5e2018a-7
0.440
KEI-TRE-d5e2018a-65
0.436
KEI-TRE-d5e2018a-89
0.433
KEI-TRE-d5e2018a-71
0.432
KEI-TRE-d5e2018a-4
0.430
KEI-TRE-d5e2018a-1
0.427
MAR-TRE-2fd8122f-98
0.427
KEI-TRE-d5e2018a-92
0.424
MAR-TRE-3e4e6814-50
0.414
MAR-TRE-04c86cea-97
0.382
MAR-TRE-67513f76-81
0.378
MAR-TRE-2fd8122f-2
0.376
MAR-TRE-d0525fbf-55
0.376
MAR-TRE-74c6519b-63
0.376
KEI-TRE-d5e2018a-66
0.374
AUS-ARG-7cfdce8f-11
0.373
SAN-PRS-52b81272-2
0.370
JOH-IMS-62aeb97d-5
0.368
MAR-TRE-7f7bb9f0-90
0.367
MAR-TRE-2fd8122f-11
0.365
WIL-UNI-5578df48-5
0.363
MAR-TRE-3e4e6814-6
0.361
KEI-TRE-d5e2018a-81
0.359
MAR-TRE-2fd8122f-74
0.358
MAR-TRE-2fd8122f-55
0.356
MAR-TRE-2fd8122f-35
0.352
CHA-MCP-85291e1d-2
0.352
KEI-TRE-d5e2018a-27
0.351
MAR-TRE-7f7bb9f0-16
0.351
MAK-UNK-ca11b4f7-1
0.351
KEI-TRE-d5e2018a-53
0.350
SAD-SAT-24589cd1-4
0.349
MAK-UNK-f0bfc2e0-1
0.347
TAM-UNI-c140e31a-10
0.347
CHR-SOS-70e4c98a-6
0.344
ASH-UNK-40b46b30-3
0.344
CHR-SOS-70e4c98a-7
0.343
WIL-UNI-5578df48-2
0.341
CHA-MCP-85291e1d-4
0.340
MAR-TRE-2fd8122f-37
0.340
KEI-TRE-d5e2018a-44
0.340
EMI-TUK-a58865cc-7
0.340
MAR-TRE-67513f76-55
0.340
KEI-TRE-d5e2018a-49
0.340
AAR-POS-d2a4d1df-11
0.338
MAR-TRE-7f7bb9f0-49
0.337
CHR-SOS-70e4c98a-8
0.337
MAR-TRE-04c86cea-46
0.337
CHR-SOS-70e4c98a-9
0.337
MAR-TRE-2fd8122f-25
0.336
MAK-UNK-a7b37c5e-1
0.333
KEI-TRE-d5e2018a-34
0.333
CHR-SOS-e960e883-3
0.333
MAR-TRE-9c797165-95
0.333
KEI-TRE-d5e2018a-41
0.333
MAR-TRE-b77b7921-40
0.330
CHR-SOS-70e4c98a-4
0.330
EMI-TUK-a58865cc-1
0.330
CHR-SOS-7098f804-16
0.330
CHR-SOS-70e4c98a-3
0.330
MAR-TRE-2fd8122f-78
0.330
ALE-HEI-f28a35b5-5
0.330
MAR-TRE-2fd8122f-100
0.327
CHR-SOS-e960e883-2
0.327
MAR-TRE-2fd8122f-76
0.327
KEI-TRE-d5e2018a-24
0.327
MAR-TRE-7f7bb9f0-46
0.326
MAR-TRE-74c6519b-47
0.326
CHR-SOS-f7373dd1-4
0.326
DAR-DIA-23aa0b97-17
0.326
MAK-UNK-a7b37c5e-2
0.326
MED-UNK-e6e8ef8a-3
0.326
ALE-HEI-f28a35b5-14
0.325
CHR-SOS-70e4c98a-12
0.324
TAM-UNI-c140e31a-13
0.324
MAR-TRE-3e4e6814-79
0.324
KEI-TRE-d5e2018a-67
0.324
CHR-SOS-70e4c98a-1
0.323