Molecular Properties | |
SMILES: | O=C1NC(=O)C(CCS(=O)(=O)NC(=O)c2cncnc2)N1 |
MW: | 313.05 |
Fraction sp3: | 0.3 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 147.22 |
cLogP: | -1.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
Hetero_hetero
MAR-TRE-be9ff7d2-41
0.522
MAR-TRE-4f781e27-31
0.438
MAR-TRE-4f781e27-41
0.429
MAR-TRE-4f781e27-64
0.405
MAR-TRE-4f781e27-25
0.397
MAR-TRE-9d18ae8c-73
0.397
MAR-TRE-be9ff7d2-88
0.389
MAR-TRE-92684b97-33
0.378
MAR-TRE-4f781e27-37
0.367
MAR-TRE-4f781e27-55
0.367
MAR-TRE-4f781e27-80
0.362
MAR-TRE-c317dd82-98
0.361
MAR-TRE-8190bb11-65
0.360
MAR-TRE-92684b97-45
0.358
MAR-TRE-a9136c7b-88
0.357
MAR-TRE-c317dd82-73
0.355
MAR-TRE-be9ff7d2-72
0.351
MAR-TRE-66ac689e-13
0.351
MAR-TRE-66ac689e-43
0.350
MAR-TRE-4f781e27-95
0.347
MAR-TRE-a9136c7b-84
0.346
MAR-TRE-8190bb11-66
0.345
MAR-TRE-4f781e27-50
0.342
MAR-TRE-4f781e27-62
0.342
MAR-TRE-e82e6c98-89
0.338
MAR-TRE-799db12b-53
0.338
MAR-TRE-66ac689e-6
0.338
MAR-TRE-4f781e27-46
0.333
MAR-TRE-c317dd82-43
0.333
MAR-TRE-be9ff7d2-13
0.333
MAR-TRE-be9ff7d2-42
0.333
MAR-TRE-92684b97-69
0.329
MAR-TRE-9d18ae8c-25
0.329
MAR-TRE-799db12b-29
0.329
MAR-TRE-c317dd82-100
0.329
MAR-TRE-be9ff7d2-31
0.329
MAR-TRE-4f781e27-72
0.329
MAR-TRE-be9ff7d2-63
0.329
MAR-TRE-a9136c7b-75
0.329
MAR-TRE-c317dd82-88
0.329
MAR-TRE-799db12b-22
0.325
MAR-TRE-be9ff7d2-54
0.325
MAR-TRE-92684b97-37
0.325
MAR-TRE-be9ff7d2-45
0.325
MAR-TRE-799db12b-38
0.325
MAR-TRE-4f781e27-15
0.325
MAR-TRE-4f781e27-90
0.325
MAR-TRE-4f781e27-54
0.325
MAR-TRE-8190bb11-29
0.325
MAR-TRE-92684b97-59
0.325
MAR-TRE-8190bb11-57
0.325
MAR-TRE-a9136c7b-20
0.325
MAR-TRE-92684b97-40
0.325
MAR-TRE-e82e6c98-63
0.324
MAR-TRE-8190bb11-24
0.324
MAR-TRE-4f781e27-89
0.321
MAR-TRE-92684b97-94
0.321
MAR-TRE-66ac689e-63
0.321
MAR-TRE-92684b97-48
0.321
MAR-TRE-8190bb11-1
0.321
MAR-TRE-a9136c7b-43
0.321
MAR-TRE-9d18ae8c-63
0.321
MAR-TRE-4f781e27-17
0.321
MAR-TRE-a9136c7b-56
0.321
MAR-TRE-a9136c7b-92
0.321
MAR-TRE-4f781e27-42
0.321
MAR-TRE-9d18ae8c-76
0.320
MAR-TRE-be9ff7d2-56
0.319
MAR-TRE-92684b97-43
0.318
MAR-TRE-799db12b-83
0.318
MAR-TRE-66ac689e-4
0.318
MAR-TRE-66ac689e-11
0.318
MAR-TRE-799db12b-77
0.317
MAR-TRE-a9136c7b-60
0.317
MAR-TRE-799db12b-88
0.317
MAR-TRE-8190bb11-37
0.316
MAR-TRE-8190bb11-55
0.316
MAR-TRE-8190bb11-78
0.316
MAR-TRE-92684b97-11
0.316
MAR-TRE-92684b97-13
0.316
MAR-TRE-92684b97-21
0.316
MAR-TRE-92684b97-52
0.316
MAR-TRE-a9136c7b-61
0.313
MAR-TRE-8190bb11-87
0.313
MAR-TRE-9d18ae8c-79
0.313
MAR-TRE-9d18ae8c-70
0.313
MAR-TRE-8190bb11-63
0.313
MAR-TRE-92684b97-24
0.312
MAR-TRE-799db12b-10
0.312
MAR-TRE-66ac689e-12
0.312
MAR-TRE-66ac689e-16
0.312
MAR-TRE-8190bb11-15
0.312
MAR-TRE-92684b97-34
0.312
MAR-TRE-4f781e27-22
0.312
MAR-TRE-92684b97-60
0.312
MAR-TRE-e82e6c98-26
0.312
MAR-TRE-a9136c7b-39
0.312
MAR-TRE-8190bb11-44
0.312
MAR-TRE-e82e6c98-98
0.310
MAR-TRE-8190bb11-38
0.310