Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 |
MW: | 361.11 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 1.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8293255675 |
MolPort: | MolPort-008-389-697 |
Hetero_hetero
ALE-HEI-f28a35b5-9
MAR-TRE-3e4e6814-34
0.622
KEI-TRE-d5e2018a-32
0.622
MAR-TRE-4b834d9a-57
0.524
KEI-TRE-d5e2018a-22
0.512
MAR-TRE-2fd8122f-31
0.506
MAR-TRE-4b834d9a-92
0.477
MAR-TRE-2fd8122f-15
0.471
MAR-TRE-f6f5f473-75
0.459
MAR-TRE-4b834d9a-24
0.457
MAR-TRE-2fd8122f-22
0.453
KEI-TRE-d5e2018a-10
0.453
KEI-TRE-d5e2018a-52
0.453
MAR-TRE-f6f5f473-79
0.453
MAR-TRE-04c86cea-65
0.449
MAR-TRE-67513f76-51
0.448
KEI-TRE-d5e2018a-91
0.448
KEI-TRE-d5e2018a-100
0.448
MAR-TRE-2fd8122f-58
0.444
MAR-TRE-4b834d9a-67
0.444
MAR-TRE-3e4e6814-92
0.443
KEI-TRE-d5e2018a-61
0.443
KEI-TRE-d5e2018a-53
0.440
KEI-TRE-d5e2018a-9
0.438
KEI-TRE-d5e2018a-71
0.438
KEI-TRE-d5e2018a-13
0.438
MAR-TRE-4b834d9a-71
0.426
MAR-TRE-04c86cea-90
0.425
KEI-TRE-d5e2018a-82
0.422
MAR-TRE-2fd8122f-34
0.419
MAK-UNK-009ebe36-4
0.418
MAR-TRE-2fd8122f-55
0.415
ANT-DIA-3c79be55-4
0.412
MAR-TRE-2fd8122f-94
0.411
MAR-TRE-2fd8122f-35
0.411
MAR-TRE-3e4e6814-45
0.409
SAD-SAT-135344c3-1
0.407
MAR-TRE-f6f5f473-58
0.404
MAR-TRE-2fd8122f-82
0.402
KEI-TRE-d5e2018a-56
0.402
MAR-TRE-2fd8122f-65
0.398
MAR-TRE-fd17a9b8-62
0.398
MAR-TRE-3e4e6814-54
0.396
MAR-TRE-2fd8122f-89
0.393
MAR-TRE-f6f5f473-36
0.385
MAR-TRE-2fd8122f-24
0.385
JOH-UNI-abdb2f0c-2
0.381
ANT-DIA-3c79be55-5
0.376
SAD-SAT-2fd372d1-7
0.375
MAR-TRE-b77b7921-70
0.374
JOH-UNI-abdb2f0c-1
0.374
CHR-SOS-7098f804-12
0.372
KEI-TRE-d5e2018a-90
0.367
ASH-UNK-40b46b30-15
0.362
MAR-TRE-4b834d9a-43
0.359
KEI-TRE-d5e2018a-58
0.359
KEI-TRE-d5e2018a-83
0.354
JOR-UNI-2fc98d0b-1
0.354
SAD-SAT-135344c3-2
0.352
CHA-MCP-85291e1d-5
0.349
MAR-TRE-d0525fbf-90
0.349
MAK-UNK-129dcd6f-12
0.348
JOR-UNI-2fc98d0b-6
0.347
DAR-DIA-842b4336-11
0.346
KEI-TRE-d5e2018a-28
0.344
MAR-TRE-f6f5f473-29
0.344
MAR-TRE-2fd8122f-96
0.344
KEI-TRE-d5e2018a-86
0.344
MAR-TRE-67513f76-81
0.343
JOH-IMS-62aeb97d-4
0.342
ALE-HEI-f28a35b5-16
0.342
LON-WEI-120e5cf5-11
0.341
MAR-TRE-799db12b-34
0.341
MAK-UNK-10dfa458-31
0.341
JOR-UNI-61e7b1d5-3
0.340
MAR-TRE-04c86cea-97
0.337
MAR-TRE-8190bb11-7
0.337
MAR-TRE-7f7bb9f0-81
0.337
MAR-TRE-2fd8122f-88
0.337
JOR-UNI-61e7b1d5-16
0.333
MAR-TRE-2fd8122f-71
0.333
MAR-TRE-6a44bbf2-34
0.333
JOH-IMS-62aeb97d-5
0.333
KEI-TRE-d5e2018a-70
0.333
MAK-UNK-ca11b4f7-1
0.333
JOH-IMS-62aeb97d-3
0.333
SAD-SAT-24589cd1-4
0.333
MAR-TRE-2fd8122f-7
0.333
MAR-TRE-2fd8122f-5
0.330
MAK-UNK-009ebe36-5
0.330
MAR-TRE-7f7bb9f0-82
0.330
SAD-SAT-135344c3-4
0.330
MAK-UNK-009ebe36-8
0.330
MAR-TRE-7f7bb9f0-33
0.330
NAU-LAT-445f63e5-6
0.330
FRA-FAC-9ed5a63a-4
0.329
MAK-UNK-a7b37c5e-4
0.329
MAR-TRE-2fd8122f-19
0.326
MAR-TRE-2fd8122f-36
0.326
MAR-TRE-2fd8122f-29
0.326
MAR-TRE-2fd8122f-76
0.326