Molecular Properties | |
SMILES: | CC1(c2cccc(NC(=O)c3cncnc3)c2)NC(=O)NC1=O |
MW: | 311.1 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 113.08 |
cLogP: | 0.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAR-TRE-66ac689e-1
0.560
MAR-TRE-66ac689e-38
0.486
MAR-TRE-9d18ae8c-2
0.442
MAR-TRE-799db12b-39
0.442
MAR-TRE-a9136c7b-42
0.425
MAR-TRE-799db12b-37
0.422
MAR-TRE-799db12b-86
0.415
MAR-TRE-66ac689e-31
0.407
MAR-TRE-8190bb11-4
0.402
MAR-TRE-66ac689e-10
0.400
MAR-TRE-92684b97-55
0.400
MAR-TRE-799db12b-34
0.398
MAR-TRE-799db12b-43
0.398
MAR-TRE-4f781e27-47
0.398
MAR-TRE-a9136c7b-57
0.398
MAR-TRE-66ac689e-76
0.390
MAR-TRE-799db12b-2
0.386
MAR-TRE-66ac689e-25
0.386
MAR-TRE-9d18ae8c-9
0.376
MAR-TRE-799db12b-40
0.376
MAR-TRE-799db12b-25
0.376
MAR-TRE-9d18ae8c-11
0.372
MAR-TRE-66ac689e-37
0.370
MAR-TRE-9d18ae8c-18
0.369
MAR-TRE-4f781e27-2
0.365
MAR-TRE-66ac689e-72
0.362
MAR-TRE-9d18ae8c-7
0.360
MAR-TRE-8190bb11-65
0.359
MAR-TRE-9d18ae8c-15
0.359
MAR-TRE-9d18ae8c-77
0.356
MAR-TRE-66ac689e-2
0.354
MAR-TRE-799db12b-24
0.353
MAR-TRE-e82e6c98-38
0.353
MAR-TRE-799db12b-3
0.353
MAR-TRE-4f781e27-43
0.350
MAR-TRE-92684b97-14
0.349
MAR-TRE-9d18ae8c-53
0.349
MAR-TRE-9d18ae8c-10
0.348
MAR-TRE-e82e6c98-80
0.346
MAR-TRE-4f781e27-31
0.346
MAR-TRE-799db12b-16
0.345
MAR-TRE-799db12b-27
0.345
MAR-TRE-799db12b-33
0.337
MAR-TRE-9d18ae8c-54
0.337
MAR-TRE-799db12b-97
0.337
MAR-TRE-8190bb11-20
0.333
MAR-TRE-92684b97-89
0.333
MAR-TRE-9d18ae8c-13
0.333
MAR-TRE-9d18ae8c-30
0.333
MAR-TRE-c317dd82-16
0.333
MAR-TRE-9d18ae8c-43
0.326
MAR-TRE-a9136c7b-28
0.325
MAR-TRE-c317dd82-8
0.325
MAR-TRE-66ac689e-88
0.325
MAR-TRE-4f781e27-49
0.325
MAR-TRE-799db12b-4
0.323
MAR-TRE-9d18ae8c-82
0.322
MAR-TRE-92684b97-6
0.322
RAL-MED-2de63afb-4
0.322
MAR-TRE-e82e6c98-58
0.321
MAR-TRE-9d18ae8c-29
0.321
MAR-TRE-66ac689e-41
0.321
MAR-TRE-be9ff7d2-56
0.320
MAR-TRE-c317dd82-56
0.319
MAR-TRE-66ac689e-65
0.318
MAR-TRE-9d18ae8c-52
0.318
MAR-TRE-c317dd82-59
0.318
MAR-TRE-a9136c7b-34
0.318
MAR-TRE-799db12b-54
0.318
MAR-TRE-9d18ae8c-42
0.317
MAR-TRE-8190bb11-71
0.316
MAR-TRE-a9136c7b-11
0.316
MAR-TRE-92684b97-25
0.315
MAR-TRE-c317dd82-91
0.313
MAR-TRE-66ac689e-30
0.313
MAR-TRE-8190bb11-69
0.313
MAR-TRE-92684b97-86
0.313
MAR-TRE-4f781e27-14
0.313
MAR-TRE-c317dd82-45
0.312
MAR-TRE-e82e6c98-74
0.312
MAR-TRE-4f781e27-12
0.312
MAR-TRE-92684b97-35
0.312
MAR-TRE-92684b97-17
0.312
MAR-TRE-799db12b-51
0.311
MAR-TRE-66ac689e-51
0.310
MAR-TRE-4f781e27-45
0.310
MAR-TRE-9d18ae8c-58
0.310
MAR-TRE-c317dd82-23
0.309
MAR-TRE-799db12b-14
0.308
MAR-TRE-9d18ae8c-34
0.308
MAR-TRE-e82e6c98-70
0.308
MAR-TRE-be9ff7d2-46
0.307
MAR-TRE-9d18ae8c-96
0.307
MAR-TRE-66ac689e-73
0.306
MAR-TRE-66ac689e-84
0.306
MAR-TRE-4f781e27-76
0.306
MAR-TRE-799db12b-73
0.306
MAR-TRE-4f781e27-33
0.305
MAR-TRE-a9136c7b-9
0.304
MAR-TRE-be9ff7d2-36
0.304