Molecular Properties | |
SMILES: | O=C1NC(=O)C(Cc2ccc(NC(=O)c3cncnc3)cc2)N1 |
MW: | 311.1 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 113.08 |
cLogP: | 0.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAR-TRE-9d18ae8c-29
0.588
MAR-TRE-8190bb11-65
0.561
MAR-TRE-66ac689e-2
0.479
MAR-TRE-4f781e27-12
0.478
MAR-TRE-66ac689e-88
0.471
MAR-TRE-9d18ae8c-58
0.466
MAR-TRE-66ac689e-51
0.466
MAR-TRE-8190bb11-69
0.452
MAR-TRE-be9ff7d2-41
0.451
MAR-TRE-9d18ae8c-15
0.451
MAR-TRE-8190bb11-7
0.447
MAR-TRE-c317dd82-87
0.438
MAR-TRE-4f781e27-1
0.393
MAR-TRE-a9136c7b-9
0.393
MAR-TRE-a9136c7b-89
0.388
MAR-TRE-799db12b-17
0.384
MAR-TRE-799db12b-93
0.361
MAR-TRE-9d18ae8c-2
0.350
MAR-TRE-c317dd82-23
0.348
MAR-TRE-66ac689e-8
0.346
MAR-TRE-e82e6c98-80
0.342
MAR-TRE-92684b97-25
0.341
MAR-TRE-c317dd82-63
0.338
MAR-TRE-e82e6c98-50
0.338
MAR-TRE-66ac689e-31
0.337
MAR-TRE-be9ff7d2-46
0.333
MAR-TRE-8190bb11-4
0.333
MAR-TRE-799db12b-26
0.333
MAR-TRE-4f781e27-47
0.329
MAR-TRE-92684b97-55
0.329
MAR-TRE-c317dd82-69
0.326
MAR-TRE-c317dd82-91
0.325
MAR-TRE-be9ff7d2-20
0.325
MAR-TRE-a9136c7b-42
0.321
MAR-TRE-92684b97-37
0.321
MAR-TRE-799db12b-20
0.321
MAR-TRE-4f781e27-49
0.320
MAR-TRE-799db12b-4
0.319
MAR-TRE-9d18ae8c-34
0.318
MAR-TRE-799db12b-2
0.318
MAR-TRE-e82e6c98-10
0.318
MAR-TRE-e82e6c98-38
0.318
MAR-TRE-9d18ae8c-18
0.318
MAR-TRE-9d18ae8c-83
0.318
MAR-TRE-a9136c7b-64
0.318
MAR-TRE-799db12b-39
0.317
MAR-TRE-9d18ae8c-14
0.317
MAR-TRE-c317dd82-56
0.315
MAR-TRE-c317dd82-7
0.314
MAR-TRE-c317dd82-59
0.314
MAR-TRE-4f781e27-2
0.314
MAR-TRE-a9136c7b-57
0.314
MAR-TRE-9d18ae8c-36
0.314
MAR-TRE-c317dd82-16
0.314
MAR-TRE-4f781e27-92
0.313
MAR-TRE-e82e6c98-48
0.312
MAR-TRE-8190bb11-51
0.312
MAR-TRE-92684b97-88
0.312
MAR-TRE-92684b97-11
0.312
MAR-TRE-4f781e27-85
0.312
MAR-TRE-92684b97-52
0.312
MAR-TRE-9d18ae8c-16
0.311
MAR-TRE-92684b97-78
0.311
MAR-TRE-a9136c7b-99
0.310
MAR-TRE-9d18ae8c-7
0.310
MAR-TRE-799db12b-40
0.310
MAR-TRE-8190bb11-86
0.310
MAR-TRE-66ac689e-21
0.310
MAR-TRE-a9136c7b-14
0.309
MAR-TRE-66ac689e-12
0.309
MAR-TRE-66ac689e-30
0.309
MAR-TRE-799db12b-55
0.309
MAR-TRE-c317dd82-45
0.309
MAR-TRE-e82e6c98-74
0.308
MAR-TRE-9d18ae8c-11
0.307
MAR-TRE-799db12b-37
0.307
MAR-TRE-799db12b-51
0.307
MAR-TRE-e82e6c98-99
0.306
MAR-TRE-799db12b-7
0.306
MAR-TRE-66ac689e-76
0.306
MAR-TRE-9d18ae8c-69
0.305
MAR-TRE-799db12b-63
0.305
MAR-TRE-c317dd82-8
0.304
MAR-TRE-4f781e27-84
0.304
MAR-TRE-a9136c7b-2
0.303
MAR-TRE-8190bb11-24
0.303
MAR-TRE-8190bb11-85
0.303
MAR-TRE-4f781e27-34
0.302
MAR-TRE-9d18ae8c-54
0.302
MAR-TRE-66ac689e-24
0.302
MAR-TRE-9d18ae8c-46
0.302
MAR-TRE-799db12b-24
0.302
MAR-TRE-799db12b-3
0.302
MAR-TRE-66ac689e-89
0.302
MAR-TRE-a9136c7b-4
0.302
MAR-TRE-9d18ae8c-96
0.301
MAR-TRE-4f781e27-76
0.301
MAR-TRE-66ac689e-37
0.301
MAR-TRE-e82e6c98-71
0.300
MAR-TRE-be9ff7d2-83
0.300