Molecular Properties | |
SMILES: | O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccnc1 |
MW: | 443.1 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 97.83 |
cLogP: | 2.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2945569329 |
MolPort: | MolPort-002-006-414 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-46
0.613
KEI-TRE-d5e2018a-65
0.578
MAR-TRE-d0525fbf-92
0.576
KEI-TRE-d5e2018a-95
0.576
KEI-TRE-d5e2018a-18
0.500
KEI-TRE-d5e2018a-33
0.500
KEI-TRE-d5e2018a-78
0.495
KEI-TRE-d5e2018a-84
0.490
MAR-TRE-74c6519b-56
0.485
KEI-TRE-d5e2018a-88
0.485
MAK-UNK-009ebe36-6
0.461
KEI-TRE-d5e2018a-75
0.437
KEI-TRE-d5e2018a-50
0.429
KEI-TRE-d5e2018a-87
0.427
MAR-TRE-7f7bb9f0-92
0.426
KEI-TRE-d5e2018a-59
0.419
KEI-TRE-d5e2018a-64
0.417
MAR-TRE-f6f5f473-25
0.414
MAR-TRE-4b834d9a-79
0.406
MAR-TRE-2fd8122f-92
0.404
KEI-TRE-d5e2018a-30
0.404
MAR-TRE-7f7bb9f0-27
0.404
KEI-TRE-d5e2018a-89
0.402
MAR-TRE-2fd8122f-33
0.402
KEI-TRE-d5e2018a-4
0.400
KEI-TRE-d5e2018a-39
0.398
KEI-TRE-d5e2018a-93
0.396
KEI-TRE-d5e2018a-54
0.386
MAR-TRE-2fd8122f-98
0.381
MAR-TRE-7f7bb9f0-56
0.380
MAR-TRE-4b834d9a-16
0.380
KEI-TRE-d5e2018a-7
0.380
MAK-UNK-a7b37c5e-5
0.375
KEI-TRE-d5e2018a-55
0.374
KEI-TRE-d5e2018a-31
0.371
MAR-TRE-04c86cea-35
0.369
MAR-TRE-b77b7921-40
0.368
KEI-TRE-d5e2018a-2
0.368
MAR-TRE-7f7bb9f0-6
0.359
KEI-TRE-d5e2018a-42
0.357
MAR-TRE-2fd8122f-10
0.352
MAR-TRE-4b834d9a-42
0.352
WIL-UNI-5578df48-1
0.351
MAR-TRE-2fd8122f-59
0.349
KEI-TRE-d5e2018a-92
0.340
MAR-TRE-2fd8122f-52
0.340
MAR-TRE-2fd8122f-17
0.340
MAR-TRE-d0525fbf-33
0.333
MAR-TRE-799db12b-53
0.333
MAR-TRE-67513f76-81
0.329
ISA-SCH-8e98219b-1
0.326
MAR-TRE-2fd8122f-84
0.324
CHR-SOS-e960e883-3
0.324
SAD-SAT-24589cd1-4
0.322
MAK-UNK-ca11b4f7-1
0.321
JOH-IMS-62aeb97d-5
0.321
MAR-LAB-ff9967db-22
0.321
MAR-TRE-2fd8122f-83
0.321
MAR-TRE-3e4e6814-66
0.321
MAR-TRE-f6f5f473-79
0.321
MAR-TRE-9c797165-100
0.319
DAR-DIA-842b4336-13
0.319
DAR-DIA-842b4336-12
0.319
CHR-SOS-e960e883-2
0.318
MAR-TRE-2fd8122f-45
0.317
CHA-MCP-85291e1d-4
0.317
MED-UNK-e6e8ef8a-2
0.316
FRA-FAC-9ed5a63a-2
0.316
MAR-TRE-7f7bb9f0-28
0.316
AUS-ARG-7cfdce8f-11
0.315
ALE-HEI-f28a35b5-14
0.315
MAR-TRE-b77b7921-66
0.314
CHA-MCP-85291e1d-2
0.313
MAR-TRE-04c86cea-97
0.313
MAR-TRE-7f7bb9f0-49
0.312
MAR-TRE-7f7bb9f0-74
0.312
KEI-TRE-d5e2018a-9
0.312
KEI-TRE-d5e2018a-97
0.312
CHR-SOS-e960e883-1
0.312
MAR-TRE-4b834d9a-45
0.311
KEI-TRE-d5e2018a-37
0.311
MAR-TRE-2fd8122f-91
0.311
CHR-SOS-70e4c98a-5
0.311
SAN-PRS-52b81272-2
0.311
MAR-TRE-2fd8122f-2
0.311
MAR-TRE-7f7bb9f0-84
0.309
KEI-TRE-d5e2018a-6
0.309
TAM-UNI-c140e31a-12
0.309
MAR-TRE-7f7bb9f0-58
0.309
MAR-TRE-2fd8122f-9
0.309
CHR-SOS-70e4c98a-4
0.309
CHR-SOS-70e4c98a-7
0.308
MAK-UNK-009ebe36-2
0.308
MAR-TRE-b77b7921-83
0.308
CHR-SOS-70e4c98a-11
0.308
WIL-UNI-5578df48-33
0.306
TAM-UNI-c140e31a-6
0.306
TAM-UNI-c140e31a-14
0.306
MAR-TRE-2fd8122f-78
0.306
DAR-DIA-842b4336-11
0.305