Molecular Properties | |
SMILES: | CC1(c2cccc(CNC(=O)c3cncnc3)c2)NC(=O)NC1=O |
MW: | 325.12 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 113.08 |
cLogP: | 0.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAR-TRE-66ac689e-8
0.560
MAR-TRE-66ac689e-37
0.506
VLA-UNK-c3e99b7a-10
0.500
MAR-TRE-66ac689e-73
0.487
MAR-TRE-799db12b-24
0.481
MAR-TRE-799db12b-44
0.481
MAR-TRE-9d18ae8c-53
0.481
VLA-UNK-c3e99b7a-2
0.480
VLA-UNK-c3e99b7a-6
0.480
MAR-TRE-8190bb11-80
0.476
MAR-TRE-799db12b-16
0.475
MAR-TRE-799db12b-27
0.475
MAR-TRE-92684b97-82
0.475
MAR-TRE-8190bb11-8
0.464
MAR-TRE-8190bb11-31
0.464
MAR-TRE-9d18ae8c-43
0.464
MAR-TRE-799db12b-33
0.463
MAR-TRE-9d18ae8c-54
0.463
MAR-TRE-799db12b-2
0.463
MAR-TRE-9d18ae8c-46
0.463
MAR-TRE-92684b97-81
0.463
MAR-TRE-799db12b-97
0.459
MAR-TRE-66ac689e-54
0.459
MAR-TRE-9d18ae8c-30
0.458
MAR-TRE-9d18ae8c-6
0.457
VLA-UNK-c3e99b7a-4
0.455
MAR-TRE-66ac689e-38
0.455
MAR-TRE-92684b97-11
0.449
MAR-TRE-799db12b-69
0.447
MAR-TRE-9d18ae8c-11
0.447
MAR-TRE-9d18ae8c-18
0.446
MAR-TRE-8190bb11-34
0.446
MAR-TRE-799db12b-3
0.446
MAR-TRE-4f781e27-92
0.444
MAR-TRE-66ac689e-12
0.443
MAR-TRE-9d18ae8c-36
0.440
MAR-TRE-4f781e27-2
0.440
MAR-TRE-66ac689e-33
0.440
MAR-TRE-9d18ae8c-52
0.440
MAR-TRE-8190bb11-86
0.439
MAR-TRE-799db12b-4
0.438
MAR-TRE-9d18ae8c-65
0.437
MAR-TRE-9d18ae8c-7
0.435
MAR-TRE-799db12b-51
0.430
MAR-TRE-799db12b-18
0.427
MAR-TRE-8190bb11-85
0.427
MAR-TRE-799db12b-14
0.425
MAR-TRE-92684b97-6
0.425
MAR-TRE-9d18ae8c-34
0.425
MAR-TRE-be9ff7d2-17
0.425
MAR-TRE-799db12b-9
0.424
MAR-TRE-9d18ae8c-89
0.423
MAR-TRE-9d18ae8c-10
0.420
MAR-TRE-9d18ae8c-49
0.420
MAR-TRE-92684b97-78
0.419
MAR-TRE-4f781e27-88
0.417
MAR-TRE-799db12b-76
0.416
MAR-TRE-9d18ae8c-16
0.416
MAR-TRE-a9136c7b-11
0.413
MAR-TRE-8190bb11-24
0.408
MAR-TRE-8190bb11-13
0.397
MAR-TRE-a9136c7b-31
0.391
VLA-UNK-c3e99b7a-1
0.388
MAR-TRE-799db12b-35
0.388
MAR-TRE-4f781e27-99
0.388
MAR-TRE-66ac689e-26
0.369
MAR-TRE-8190bb11-50
0.366
MAR-TRE-4f781e27-100
0.365
MAR-TRE-a9136c7b-14
0.364
MAR-TRE-66ac689e-20
0.360
MAR-TRE-4f781e27-55
0.360
MAR-TRE-92684b97-14
0.360
MAR-TRE-799db12b-72
0.360
MAR-TRE-a9136c7b-4
0.357
MAR-TRE-66ac689e-21
0.356
MAR-TRE-92684b97-53
0.356
MAR-TRE-8190bb11-83
0.356
MAR-TRE-be9ff7d2-67
0.355
MAR-TRE-a9136c7b-28
0.353
MAR-TRE-e82e6c98-12
0.353
MAR-TRE-799db12b-7
0.352
MAR-TRE-c317dd82-81
0.352
MAR-TRE-92684b97-96
0.352
MAR-TRE-9d18ae8c-81
0.352
MAR-TRE-4f781e27-76
0.349
MAR-TRE-799db12b-59
0.348
MAR-TRE-66ac689e-74
0.348
MAR-TRE-e82e6c98-25
0.347
MAR-TRE-e82e6c98-54
0.346
MAR-TRE-be9ff7d2-90
0.346
MAR-TRE-c317dd82-55
0.345
MAR-TRE-92684b97-47
0.345
MAR-TRE-e82e6c98-91
0.345
MAR-TRE-66ac689e-35
0.345
MAR-TRE-4f781e27-83
0.344
MAR-TRE-9d18ae8c-13
0.344
MAR-TRE-66ac689e-69
0.344
MAR-TRE-8190bb11-42
0.341
MAR-TRE-4f781e27-35
0.341
MAR-TRE-92684b97-91
0.341