Molecular Properties | |
SMILES: | CC1(C)C(=O)NC(=O)N1CC(=O)NC(=O)c1cncnc1 |
MW: | 291.1 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 121.36 |
cLogP: | -0.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
hydantoin
MAR-TRE-be9ff7d2-25
0.463
MAR-TRE-be9ff7d2-44
0.449
MAR-TRE-7f7bb9f0-20
0.414
MAR-TRE-8190bb11-43
0.408
MAR-TRE-e82e6c98-72
0.406
MAR-TRE-be9ff7d2-71
0.403
MAR-TRE-66ac689e-38
0.394
MAR-TRE-c317dd82-21
0.379
MAR-TRE-be9ff7d2-94
0.377
MAR-TRE-4f781e27-57
0.367
MAR-TRE-66ac689e-9
0.364
MAR-TRE-e82e6c98-19
0.356
MAR-TRE-be9ff7d2-50
0.351
MAR-TRE-e82e6c98-80
0.347
MAR-TRE-66ac689e-28
0.347
MAR-TRE-9d18ae8c-96
0.343
MAR-TRE-e82e6c98-41
0.343
MAR-TRE-92684b97-66
0.333
MAR-TRE-92684b97-76
0.333
MAR-TRE-c317dd82-39
0.333
MAR-TRE-c317dd82-53
0.329
MAR-TRE-be9ff7d2-20
0.329
MAR-TRE-be9ff7d2-31
0.329
MAR-TRE-be9ff7d2-38
0.329
MAR-TRE-8190bb11-49
0.325
MAR-TRE-9d18ae8c-72
0.319
MAR-TRE-9d18ae8c-76
0.319
MAR-TRE-9d18ae8c-95
0.319
MAR-TRE-a9136c7b-18
0.318
MAR-TRE-c317dd82-66
0.317
MAR-TRE-799db12b-56
0.317
MAR-TRE-8190bb11-52
0.317
MAR-TRE-66ac689e-15
0.316
MAR-TRE-c317dd82-55
0.316
MAR-TRE-c317dd82-68
0.314
MAR-TRE-9d18ae8c-39
0.314
MAR-TRE-9d18ae8c-23
0.313
MAR-TRE-8190bb11-79
0.312
MAR-TRE-c317dd82-54
0.312
MAR-TRE-c317dd82-91
0.312
MAR-TRE-e82e6c98-26
0.311
MAR-TRE-a9136c7b-50
0.310
MAR-TRE-be9ff7d2-74
0.310
MAR-TRE-e82e6c98-94
0.310
MAR-TRE-be9ff7d2-47
0.310
MAR-TRE-c317dd82-99
0.308
MAR-TRE-e82e6c98-32
0.307
MAR-TRE-92684b97-51
0.307
MAR-TRE-4f781e27-25
0.307
MAR-TRE-9d18ae8c-21
0.307
MAR-TRE-a9136c7b-44
0.305
MAR-TRE-be9ff7d2-67
0.304
MAR-TRE-c317dd82-36
0.304
MAR-TRE-c317dd82-57
0.304
MAR-TRE-c317dd82-93
0.304
MAR-TRE-be9ff7d2-32
0.304
MAR-TRE-be9ff7d2-83
0.303
MAR-TRE-be9ff7d2-36
0.301
MAR-TRE-e82e6c98-27
0.301
MAR-TRE-e82e6c98-30
0.301
MAR-TRE-9d18ae8c-59
0.301
MAR-TRE-66ac689e-8
0.300
MAR-TRE-c317dd82-6
0.300
MAR-TRE-c317dd82-70
0.300
MAR-TRE-e82e6c98-60
0.300
MAR-TRE-66ac689e-35
0.300
MAR-TRE-be9ff7d2-43
0.299
MAR-TRE-e82e6c98-100
0.299
MAR-TRE-c317dd82-87
0.299
MAR-TRE-e82e6c98-48
0.299
MAR-TRE-66ac689e-1
0.298
MAR-TRE-92684b97-52
0.297
MAR-TRE-92684b97-56
0.297
MAR-TRE-c317dd82-96
0.297
MAR-TRE-e82e6c98-77
0.297
MAR-TRE-92684b97-87
0.297
MAR-TRE-4f781e27-80
0.296
MAR-TRE-c317dd82-19
0.296
MAR-TRE-92684b97-78
0.296
MAR-TRE-4f781e27-22
0.295
MAR-TRE-e82e6c98-11
0.295
MAR-TRE-e82e6c98-16
0.295
MAR-TRE-799db12b-94
0.295
MAR-TRE-92684b97-69
0.295
MAR-TRE-66ac689e-57
0.293
MAR-TRE-be9ff7d2-49
0.293
MAR-TRE-9d18ae8c-71
0.293
MAR-TRE-66ac689e-70
0.293
MAR-TRE-4f781e27-12
0.293
MAR-TRE-c317dd82-64
0.293
MAR-TRE-c317dd82-15
0.293
MAR-TRE-c317dd82-81
0.293
MAR-TRE-e82e6c98-5
0.293
MAR-TRE-e82e6c98-21
0.292
MAR-TRE-9d18ae8c-61
0.292
MAR-TRE-e82e6c98-12
0.291
MAR-TRE-8190bb11-82
0.291
MAR-TRE-be9ff7d2-45
0.291
MAR-TRE-a9136c7b-28
0.291
MAR-TRE-9d18ae8c-73
0.289