Molecular Properties | |
SMILES: | CS(=O)(=O)N1CCCC(NC(=O)c2cncnc2)C1 |
MW: | 284.09 |
Fraction sp3: | 0.55 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 92.26 |
cLogP: | -0.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8636777671 |
MolPort: | MolPort-046-444-624 |
Hetero_hetero
MAR-TRE-799db12b-29
0.721
MAR-TRE-c317dd82-88
0.492
MAR-TRE-c317dd82-44
0.447
MAR-TRE-a9136c7b-64
0.442
MAR-TRE-be9ff7d2-8
0.430
MAR-TRE-e82e6c98-65
0.425
MAR-TRE-e82e6c98-69
0.410
MAR-TRE-9d18ae8c-78
0.397
MAR-TRE-c317dd82-3
0.395
MAR-TRE-c317dd82-89
0.395
MAR-TRE-c317dd82-80
0.392
MAR-TRE-a9136c7b-89
0.392
MAR-TRE-c317dd82-14
0.388
MAR-TRE-92684b97-57
0.386
MAR-TRE-c317dd82-8
0.378
MAR-TRE-c317dd82-46
0.373
MAR-TRE-9d18ae8c-93
0.373
MAR-TRE-be9ff7d2-88
0.370
MAR-TRE-c317dd82-69
0.361
MAR-TRE-4f781e27-90
0.359
MAR-TRE-9d18ae8c-38
0.358
MAR-TRE-c317dd82-73
0.355
MAR-TRE-e82e6c98-78
0.354
MAR-TRE-e82e6c98-81
0.351
MAR-TRE-e82e6c98-28
0.350
MAR-TRE-a9136c7b-96
0.349
MAR-TRE-e82e6c98-96
0.349
MAR-TRE-4f781e27-72
0.347
MAR-TRE-92684b97-39
0.346
MAR-TRE-92684b97-62
0.346
MAR-TRE-c317dd82-98
0.342
MAR-TRE-92684b97-40
0.342
MAR-TRE-92684b97-20
0.342
MAR-TRE-e82e6c98-99
0.341
MAR-TRE-be9ff7d2-53
0.341
MAR-TRE-c317dd82-5
0.341
MAR-TRE-e82e6c98-33
0.341
MAR-TRE-8190bb11-33
0.338
MAR-TRE-4f781e27-89
0.337
MAR-TRE-66ac689e-60
0.337
MAR-TRE-66ac689e-47
0.333
MAR-TRE-4f781e27-64
0.333
MAR-TRE-be9ff7d2-75
0.333
MAR-TRE-c317dd82-87
0.333
MAR-TRE-c317dd82-18
0.333
MAR-TRE-4f781e27-41
0.333
MAR-TRE-8190bb11-100
0.329
MAR-TRE-4f781e27-7
0.329
MAR-TRE-4f781e27-77
0.329
MAR-TRE-92684b97-7
0.329
MAR-TRE-e82e6c98-26
0.329
MAK-UNK-009ebe36-9
0.326
MAR-TRE-c317dd82-65
0.326
MAR-TRE-e82e6c98-21
0.322
MAR-TRE-8190bb11-61
0.322
MAR-TRE-e82e6c98-86
0.322
MAR-TRE-4f781e27-38
0.321
MAR-TRE-a9136c7b-44
0.321
MAR-TRE-e82e6c98-34
0.321
MAR-TRE-c317dd82-82
0.321
MAR-TRE-9d18ae8c-76
0.320
MAR-TRE-be9ff7d2-56
0.319
MAR-TRE-799db12b-92
0.318
MAR-TRE-e82e6c98-24
0.318
MAR-TRE-e82e6c98-53
0.318
MAR-TRE-66ac689e-66
0.317
MAR-TRE-799db12b-70
0.317
MAR-TRE-66ac689e-43
0.317
MAR-TRE-92684b97-13
0.316
MAR-TRE-be9ff7d2-69
0.316
MAR-TRE-92684b97-33
0.314
MAR-TRE-9d18ae8c-75
0.313
MAR-TRE-9d18ae8c-56
0.313
MAR-TRE-be9ff7d2-19
0.312
MAR-TRE-a9136c7b-84
0.312
MAR-TRE-66ac689e-30
0.312
MAR-TRE-e82e6c98-74
0.312
MAR-TRE-66ac689e-14
0.312
MAR-TRE-be9ff7d2-38
0.312
MAR-TRE-c317dd82-78
0.311
MAR-TRE-be9ff7d2-95
0.310
MAR-TRE-4f781e27-65
0.310
MAR-TRE-799db12b-52
0.310
MAR-TRE-9d18ae8c-90
0.310
MAR-TRE-be9ff7d2-22
0.309
MIC-UNK-06e5f114-3
0.308
MAR-TRE-be9ff7d2-58
0.308
MAR-TRE-e82e6c98-25
0.308
MAR-TRE-799db12b-35
0.308
MAR-TRE-799db12b-65
0.307
MAR-TRE-c317dd82-2
0.307
MAR-TRE-a9136c7b-86
0.307
MAR-TRE-8190bb11-24
0.307
MAR-TRE-e82e6c98-63
0.307
MAR-TRE-be9ff7d2-55
0.306
MAR-TRE-e82e6c98-10
0.306
MAR-TRE-c317dd82-30
0.306
MAR-TRE-9d18ae8c-96
0.306
MAR-TRE-e82e6c98-56
0.305
MAR-TRE-66ac689e-6
0.305