Molecular Properties | |
SMILES: | O=C(NCc1ccc(CN2C(=O)CNC2=O)cc1)c1cncnc1 |
MW: | 325.12 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 104.29 |
cLogP: | 0.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAR-TRE-66ac689e-51
0.667
MAR-TRE-66ac689e-26
0.618
MAR-TRE-66ac689e-21
0.592
MAR-TRE-92684b97-78
0.562
MAR-TRE-799db12b-52
0.541
MAR-TRE-9d18ae8c-89
0.536
MAR-TRE-66ac689e-31
0.520
MAR-TRE-8190bb11-13
0.507
MAR-TRE-8190bb11-24
0.500
MAR-TRE-8190bb11-85
0.500
MAR-TRE-4f781e27-99
0.493
MAR-TRE-799db12b-72
0.487
MAR-TRE-8190bb11-50
0.486
MAR-TRE-799db12b-35
0.472
MAR-TRE-be9ff7d2-94
0.471
MAR-TRE-66ac689e-24
0.456
MAR-TRE-8190bb11-86
0.449
MAR-TRE-4f781e27-92
0.436
MAR-TRE-66ac689e-12
0.434
MAR-TRE-9d18ae8c-65
0.429
MAR-TRE-9d18ae8c-58
0.429
MAR-TRE-799db12b-69
0.422
MAR-TRE-92684b97-11
0.421
MAR-TRE-8190bb11-34
0.402
MAR-TRE-66ac689e-54
0.400
MAR-TRE-a9136c7b-31
0.398
MAR-TRE-8190bb11-99
0.398
MAR-TRE-be9ff7d2-17
0.397
MAR-TRE-9d18ae8c-6
0.395
MAR-TRE-8190bb11-81
0.392
MAR-TRE-c317dd82-81
0.390
MAR-TRE-66ac689e-29
0.390
MAR-TRE-4f781e27-88
0.390
MAR-TRE-e82e6c98-54
0.387
MAR-TRE-799db12b-84
0.385
MAR-TRE-9d18ae8c-34
0.384
MAR-TRE-92684b97-81
0.383
MAR-TRE-8190bb11-42
0.382
MAR-TRE-4f781e27-48
0.381
MAR-TRE-799db12b-16
0.378
MAR-TRE-a9136c7b-4
0.376
MAR-TRE-799db12b-76
0.375
MAR-TRE-9d18ae8c-16
0.375
MAR-TRE-66ac689e-34
0.373
MAR-TRE-8190bb11-46
0.373
MAR-TRE-3e4e6814-45
0.372
MAR-TRE-8190bb11-8
0.372
MAR-TRE-66ac689e-37
0.370
MAR-TRE-66ac689e-73
0.370
MAR-TRE-799db12b-9
0.370
MAR-TRE-9d18ae8c-46
0.369
MAR-TRE-9d18ae8c-18
0.369
MAR-TRE-799db12b-2
0.369
MAR-TRE-799db12b-24
0.369
MAR-TRE-be9ff7d2-90
0.368
MAR-TRE-a9136c7b-14
0.368
MAR-TRE-799db12b-14
0.368
MAR-TRE-799db12b-97
0.368
MAR-TRE-92684b97-6
0.368
MAR-TRE-e82e6c98-25
0.367
MAR-TRE-799db12b-44
0.366
MAR-TRE-9d18ae8c-53
0.366
MAR-TRE-9d18ae8c-30
0.365
MAR-TRE-9d18ae8c-36
0.365
MAR-TRE-a9136c7b-80
0.365
MAR-TRE-4f781e27-2
0.365
MAR-TRE-4f781e27-83
0.365
MAR-TRE-9d18ae8c-52
0.365
MAR-TRE-9d18ae8c-49
0.364
MAR-TRE-4f781e27-28
0.362
MAR-TRE-92684b97-82
0.361
MAR-TRE-799db12b-27
0.361
MAR-TRE-799db12b-89
0.361
MAR-TRE-8190bb11-88
0.361
MAR-TRE-be9ff7d2-67
0.361
MAR-TRE-66ac689e-1
0.360
MAR-TRE-9d18ae8c-7
0.360
MAR-TRE-e82e6c98-12
0.358
MAR-TRE-8190bb11-82
0.358
MAR-TRE-e82e6c98-64
0.357
MAR-TRE-e82e6c98-5
0.357
MAR-TRE-c317dd82-60
0.356
MAR-TRE-799db12b-51
0.356
MAR-TRE-9d18ae8c-11
0.356
MAR-TRE-e82e6c98-68
0.355
MAR-TRE-799db12b-67
0.354
MAR-TRE-e82e6c98-35
0.354
MAR-TRE-4f781e27-100
0.354
MAR-TRE-799db12b-33
0.353
MAR-TRE-799db12b-3
0.353
MAR-TRE-799db12b-59
0.353
MAR-TRE-92684b97-64
0.353
MAR-TRE-9d18ae8c-54
0.353
MAR-TRE-9d18ae8c-83
0.353
MAR-TRE-799db12b-64
0.352
MAR-TRE-92684b97-72
0.350
MAR-TRE-c317dd82-55
0.350
MAR-TRE-e82e6c98-22
0.350
MAR-TRE-92684b97-88
0.350
MAR-TRE-be9ff7d2-89
0.349