Molecular Properties | |
SMILES: | O=C(NC(=S)CN1C(=O)CNC1=O)c1cncnc1 |
MW: | 279.04 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 104.29 |
cLogP: | -0.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
Thiocarbonyl group
Heteroatom-bonded thiocarbonyls
Thiocarbonyls
thioamide
Thiocarbonyl_group
MAR-TRE-66ac689e-51
0.485
MAR-TRE-66ac689e-20
0.471
MAR-TRE-66ac689e-31
0.458
MAR-TRE-66ac689e-24
0.432
MAR-TRE-be9ff7d2-44
0.414
MAR-TRE-be9ff7d2-25
0.406
MAR-TRE-8190bb11-49
0.403
MAR-TRE-e82e6c98-7
0.377
MAR-TRE-92684b97-66
0.377
MAR-TRE-c317dd82-61
0.377
MAR-TRE-e82e6c98-72
0.371
MAR-TRE-c317dd82-54
0.370
MAR-TRE-92684b97-61
0.368
MAR-TRE-c317dd82-21
0.364
MAR-TRE-c317dd82-64
0.364
MAR-TRE-c317dd82-57
0.360
MAR-TRE-8190bb11-43
0.359
MAR-TRE-92684b97-38
0.356
MAR-TRE-be9ff7d2-74
0.353
MAR-TRE-e82e6c98-94
0.353
MAR-TRE-8190bb11-79
0.351
MAR-TRE-9d18ae8c-58
0.347
MAR-TRE-c317dd82-15
0.346
MAR-TRE-c317dd82-72
0.342
MAR-TRE-be9ff7d2-50
0.338
MAR-TRE-be9ff7d2-71
0.338
MAR-TRE-e82e6c98-82
0.333
MAR-TRE-be9ff7d2-38
0.333
MAR-TRE-e82e6c98-80
0.333
MAR-TRE-be9ff7d2-87
0.333
MAR-TRE-e82e6c98-26
0.333
MAR-TRE-92684b97-79
0.333
MAR-TRE-c317dd82-60
0.329
MAR-TRE-8190bb11-46
0.329
MAR-TRE-c317dd82-99
0.329
MAR-TRE-66ac689e-26
0.329
MAR-TRE-8190bb11-96
0.329
MAR-TRE-4f781e27-25
0.329
MAR-TRE-c317dd82-30
0.325
MAR-TRE-e82e6c98-59
0.325
MAR-TRE-a9136c7b-44
0.325
MAR-TRE-c317dd82-93
0.325
MAR-TRE-8190bb11-33
0.325
MAR-TRE-e82e6c98-19
0.324
MAR-TRE-66ac689e-38
0.324
MAR-TRE-e82e6c98-49
0.321
MAR-TRE-4f781e27-48
0.321
MAR-TRE-e82e6c98-22
0.320
MAR-TRE-e82e6c98-48
0.320
MAR-TRE-be9ff7d2-77
0.317
MAR-TRE-e82e6c98-17
0.317
MAR-TRE-8190bb11-86
0.316
MAR-TRE-66ac689e-9
0.316
MAR-TRE-4f781e27-7
0.316
MAR-TRE-66ac689e-21
0.316
MAR-TRE-66ac689e-96
0.316
MAR-TRE-c317dd82-9
0.316
MAR-TRE-be9ff7d2-47
0.314
MAR-TRE-9d18ae8c-61
0.314
MAR-TRE-3e4e6814-45
0.313
MAR-TRE-c317dd82-81
0.312
MAR-TRE-92684b97-26
0.311
MAR-TRE-be9ff7d2-41
0.311
MAR-TRE-4f781e27-84
0.311
MAR-TRE-e82e6c98-84
0.310
MAR-TRE-e82e6c98-70
0.310
MAR-TRE-a9136c7b-86
0.310
MAR-TRE-be9ff7d2-46
0.309
MAR-TRE-e82e6c98-10
0.309
MAK-UNK-748f8b7a-14
0.308
MAR-TRE-be9ff7d2-24
0.307
MAR-TRE-c317dd82-73
0.307
MAR-TRE-e82e6c98-30
0.306
MAR-TRE-799db12b-72
0.305
MAR-TRE-c317dd82-6
0.304
MAR-TRE-4f781e27-92
0.304
MAR-TRE-66ac689e-15
0.303
MAR-TRE-be9ff7d2-72
0.303
MAR-TRE-c317dd82-51
0.302
MAR-TRE-e82e6c98-54
0.301
MAR-TRE-c317dd82-96
0.301
MAR-TRE-e82e6c98-47
0.301
MAR-TRE-92684b97-52
0.301
MAR-TRE-c317dd82-69
0.301
MAR-TRE-be9ff7d2-85
0.301
MAR-TRE-8190bb11-7
0.300
MAR-TRE-c317dd82-68
0.300
MAR-TRE-92684b97-78
0.300
MAR-TRE-e82e6c98-93
0.300
MAR-TRE-a9136c7b-77
0.300
MAR-TRE-9d18ae8c-39
0.300
MAR-TRE-c317dd82-92
0.299
MAR-TRE-c317dd82-91
0.299
MAR-TRE-e82e6c98-16
0.299
MAR-TRE-66ac689e-28
0.299
MAR-TRE-4f781e27-31
0.299
MAR-TRE-799db12b-69
0.298
MAR-TRE-c317dd82-53
0.297
MAR-TRE-66ac689e-70
0.297
MAR-TRE-8190bb11-42
0.297