Molecular Properties | |
SMILES: | O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)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-51
0.647
MAR-TRE-799db12b-40
0.587
MAR-TRE-3e4e6814-45
0.558
MAR-TRE-66ac689e-20
0.520
MAR-TRE-66ac689e-24
0.519
MAR-TRE-92684b97-55
0.500
MAR-TRE-8190bb11-4
0.481
MAR-TRE-9d18ae8c-18
0.481
MAR-TRE-799db12b-2
0.481
MAR-TRE-4f781e27-2
0.475
MAR-TRE-4f781e27-47
0.475
MAR-TRE-9d18ae8c-7
0.469
MAR-TRE-a9136c7b-42
0.468
MAR-TRE-9d18ae8c-11
0.463
MAR-TRE-be9ff7d2-94
0.458
MAR-TRE-9d18ae8c-2
0.449
MAR-TRE-a9136c7b-57
0.439
MAR-TRE-799db12b-43
0.439
MAR-TRE-9d18ae8c-58
0.436
MAR-TRE-9d18ae8c-10
0.435
MAR-TRE-799db12b-3
0.427
MAR-TRE-92684b97-6
0.424
MAR-TRE-9d18ae8c-52
0.422
MAR-TRE-799db12b-34
0.422
MAR-TRE-66ac689e-76
0.415
MAR-TRE-66ac689e-37
0.412
MAR-TRE-799db12b-39
0.412
MAR-TRE-799db12b-51
0.412
MAR-TRE-66ac689e-8
0.407
MAR-TRE-9d18ae8c-53
0.407
MAR-TRE-799db12b-97
0.407
MAR-TRE-9d18ae8c-34
0.407
MAR-TRE-799db12b-14
0.407
MAR-TRE-799db12b-16
0.402
MAR-TRE-799db12b-27
0.402
MAR-TRE-799db12b-25
0.400
MAR-TRE-799db12b-76
0.398
MAR-TRE-9d18ae8c-16
0.398
MAR-TRE-a9136c7b-11
0.396
MAR-TRE-9d18ae8c-43
0.395
MAR-TRE-799db12b-33
0.393
MAR-TRE-799db12b-24
0.393
MAR-TRE-66ac689e-25
0.393
MAR-TRE-9d18ae8c-54
0.393
MAR-TRE-799db12b-86
0.388
MAR-TRE-9d18ae8c-30
0.388
MAR-TRE-9d18ae8c-9
0.384
MAR-TRE-799db12b-37
0.379
MAR-TRE-66ac689e-73
0.378
MAR-TRE-66ac689e-10
0.375
MAR-TRE-799db12b-4
0.374
MAR-TRE-9d18ae8c-36
0.372
MAR-TRE-9d18ae8c-15
0.367
MAR-TRE-66ac689e-7
0.365
MAR-TRE-9d18ae8c-77
0.364
MAR-TRE-8190bb11-34
0.360
MAR-TRE-be9ff7d2-46
0.360
MAR-TRE-92684b97-66
0.359
MAR-TRE-4f781e27-43
0.358
RAL-MED-2de63afb-13
0.356
MAR-TRE-66ac689e-72
0.354
MAR-TRE-8190bb11-69
0.354
RAL-MED-2de63afb-7
0.353
MAR-TRE-4f781e27-49
0.351
MAR-TRE-e82e6c98-70
0.351
MAR-TRE-66ac689e-40
0.349
MAR-TRE-66ac689e-2
0.345
MAR-TRE-66ac689e-83
0.345
MAR-TRE-9d18ae8c-29
0.345
MAR-TRE-e82e6c98-38
0.345
MAR-TRE-c317dd82-23
0.344
MAR-TRE-92684b97-89
0.341
MAR-TRE-c317dd82-16
0.341
MAR-TRE-8190bb11-90
0.341
RAL-MED-2de63afb-8
0.341
MAR-TRE-c317dd82-59
0.341
MAR-TRE-4f781e27-1
0.341
MAR-TRE-9d18ae8c-49
0.341
MAR-TRE-e82e6c98-24
0.341
MAR-TRE-e82e6c98-80
0.338
MAR-TRE-4f781e27-12
0.338
MAR-TRE-4f781e27-31
0.337
RAL-MED-2de63afb-12
0.337
MAR-TRE-8190bb11-7
0.337
MAR-TRE-4f781e27-56
0.337
MAR-TRE-9d18ae8c-6
0.337
MAK-UNK-987948f6-11
0.337
MED-COV-4280ac29-1
0.337
MAR-TRE-799db12b-69
0.333
WIL-UNI-5578df48-30
0.333
MAR-TRE-799db12b-17
0.333
MAR-TRE-66ac689e-26
0.333
MAR-TRE-66ac689e-34
0.333
MAR-TRE-66ac689e-88
0.333
MAR-TRE-8190bb11-65
0.333
MAR-TRE-9d18ae8c-86
0.333
MAR-TRE-8190bb11-70
0.330
MAR-TRE-9d18ae8c-47
0.329
MAR-TRE-4f781e27-29
0.329
MAR-TRE-4f781e27-98
0.327