Molecular Properties | |
SMILES: | O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1cncnc1 |
MW: | 311.1 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 104.29 |
cLogP: | 0.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAR-TRE-66ac689e-20
0.667
MAR-TRE-9d18ae8c-58
0.662
MAR-TRE-66ac689e-31
0.647
MAR-TRE-66ac689e-24
0.548
MAR-TRE-8190bb11-69
0.486
MAR-TRE-be9ff7d2-94
0.485
MAR-TRE-9d18ae8c-29
0.473
MAR-TRE-4f781e27-12
0.471
MAR-TRE-4f781e27-31
0.466
MAR-TRE-66ac689e-88
0.465
MAR-TRE-8190bb11-7
0.461
MAR-TRE-a9136c7b-89
0.455
MAR-TRE-3e4e6814-45
0.450
MAR-TRE-799db12b-17
0.429
MAR-TRE-8190bb11-65
0.425
MAR-TRE-9d18ae8c-15
0.425
MAR-TRE-4f781e27-1
0.422
MAR-TRE-66ac689e-2
0.416
MAR-TRE-66ac689e-21
0.388
MAR-TRE-66ac689e-26
0.385
MAR-TRE-a9136c7b-42
0.366
MAR-TRE-be9ff7d2-46
0.361
MAR-TRE-799db12b-26
0.360
MAR-TRE-799db12b-93
0.357
MAR-TRE-8190bb11-86
0.354
MAR-TRE-799db12b-40
0.353
MAR-TRE-92684b97-25
0.353
MAR-TRE-e82e6c98-50
0.350
MAR-TRE-66ac689e-40
0.349
MAR-TRE-66ac689e-89
0.345
MAR-TRE-a9136c7b-64
0.345
MAR-TRE-92684b97-78
0.342
MAR-TRE-a9136c7b-57
0.341
MAR-TRE-a9136c7b-9
0.341
MAR-TRE-9d18ae8c-61
0.338
MAR-TRE-e82e6c98-80
0.338
MAR-TRE-799db12b-52
0.333
MAR-TRE-4f781e27-49
0.333
MAR-TRE-66ac689e-7
0.333
MAR-TRE-66ac689e-29
0.333
MAR-TRE-e82e6c98-70
0.333
MAR-TRE-66ac689e-34
0.333
MAR-TRE-c317dd82-23
0.330
MAR-TRE-e82e6c98-38
0.329
MAR-TRE-9d18ae8c-18
0.329
MAR-TRE-799db12b-2
0.329
MAR-TRE-66ac689e-83
0.329
MAR-TRE-9d18ae8c-2
0.329
MAR-TRE-e82e6c98-27
0.329
MAR-TRE-c317dd82-56
0.326
MAR-TRE-9d18ae8c-65
0.326
MAR-TRE-c317dd82-16
0.326
MAR-TRE-799db12b-34
0.326
MAR-TRE-799db12b-43
0.326
MAR-TRE-4f781e27-2
0.326
MAR-TRE-4f781e27-47
0.326
MAR-TRE-4f781e27-48
0.326
MAR-TRE-c317dd82-59
0.326
MAR-TRE-799db12b-72
0.326
MAR-TRE-4f781e27-92
0.325
MAR-TRE-92684b97-55
0.325
MAR-TRE-66ac689e-43
0.325
MAR-TRE-92684b97-88
0.325
MAR-TRE-8190bb11-13
0.325
MAR-TRE-9d18ae8c-39
0.324
MAR-TRE-9d18ae8c-7
0.322
MAR-TRE-c317dd82-91
0.321
MAR-TRE-66ac689e-12
0.321
MAR-TRE-be9ff7d2-20
0.321
MAR-TRE-e82e6c98-72
0.321
MAR-TRE-be9ff7d2-47
0.320
MAR-TRE-c317dd82-60
0.318
MAR-TRE-799db12b-69
0.318
MAR-TRE-9d18ae8c-11
0.318
MAR-TRE-8190bb11-46
0.318
MAR-TRE-66ac689e-76
0.318
MAR-TRE-9d18ae8c-89
0.316
MAR-TRE-4f781e27-25
0.316
MAR-TRE-92684b97-26
0.316
MAR-TRE-8190bb11-24
0.316
MAR-TRE-8190bb11-85
0.316
MAR-TRE-92684b97-6
0.315
MAR-TRE-9d18ae8c-34
0.315
MAR-TRE-8190bb11-34
0.314
MAR-TRE-8190bb11-4
0.314
MAR-TRE-799db12b-39
0.313
MAR-TRE-7f7bb9f0-45
0.313
MAR-TRE-9d18ae8c-14
0.313
MAR-TRE-4f781e27-98
0.312
MAR-TRE-be9ff7d2-83
0.312
MAR-TRE-e82e6c98-30
0.312
MAR-TRE-e82e6c98-24
0.311
MAR-TRE-c317dd82-21
0.311
MAR-TRE-8190bb11-21
0.310
MAR-TRE-8190bb11-90
0.310
MAR-TRE-4f781e27-60
0.310
MAR-TRE-c317dd82-7
0.310
MAR-TRE-66ac689e-46
0.310
MAR-TRE-9d18ae8c-52
0.310
MAR-TRE-66ac689e-8
0.310