Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1ccc2[nH]c(=O)[nH]c2c1 |
MW: | 283.11 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 103.53 |
cLogP: | 1.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-82
0.562
MAR-TRE-8190bb11-5
0.500
MAR-TRE-799db12b-32
0.493
MAR-TRE-4f781e27-59
0.487
MAR-TRE-66ac689e-72
0.479
MAR-TRE-a9136c7b-19
0.475
MAR-TRE-799db12b-73
0.467
MAR-TRE-66ac689e-22
0.467
MAR-TRE-66ac689e-27
0.467
MAR-TRE-66ac689e-3
0.452
MAR-TRE-66ac689e-45
0.449
MAR-TRE-799db12b-36
0.439
MAR-TRE-799db12b-49
0.434
MAR-TRE-799db12b-45
0.434
MAR-TRE-9d18ae8c-9
0.432
MAR-TRE-a9136c7b-13
0.424
MAR-TRE-799db12b-99
0.415
WIL-UNI-d4749f31-20
0.391
MAR-TRE-9d18ae8c-62
0.385
MAR-TRE-92684b97-80
0.382
MAR-TRE-9d18ae8c-85
0.382
MAR-TRE-a9136c7b-8
0.379
MAR-TRE-92684b97-63
0.378
MAR-TRE-9d18ae8c-59
0.378
MAR-TRE-8190bb11-72
0.377
MAR-TRE-a9136c7b-82
0.373
MAR-TRE-8190bb11-98
0.372
MAR-TRE-66ac689e-94
0.370
MAR-TRE-a9136c7b-70
0.370
MAR-TRE-66ac689e-57
0.368
MAR-TRE-66ac689e-64
0.366
MAR-TRE-92684b97-100
0.366
MAR-TRE-8190bb11-47
0.364
MAR-TRE-9d18ae8c-21
0.364
MAR-TRE-9d18ae8c-87
0.364
MAR-TRE-799db12b-79
0.362
MAR-TRE-e82e6c98-43
0.360
MAR-TRE-4f781e27-70
0.360
MAR-TRE-66ac689e-18
0.359
MAR-TRE-66ac689e-71
0.358
MAR-TRE-a9136c7b-74
0.357
MAR-TRE-66ac689e-77
0.357
MAR-TRE-92684b97-36
0.357
MAR-TRE-92684b97-56
0.355
MAR-TRE-799db12b-47
0.354
MAR-TRE-66ac689e-66
0.354
MAR-TRE-4f781e27-51
0.354
MAR-TRE-a9136c7b-26
0.352
MAR-TRE-8190bb11-28
0.351
MAR-TRE-4f781e27-73
0.351
MAR-TRE-799db12b-94
0.350
MAR-TRE-799db12b-46
0.350
MAR-TRE-799db12b-55
0.350
MAR-TRE-66ac689e-79
0.350
MAR-TRE-9d18ae8c-40
0.350
MAR-TRE-4f781e27-14
0.350
MAR-TRE-9d18ae8c-80
0.349
MAR-TRE-4f781e27-45
0.346
MAR-TRE-a9136c7b-59
0.345
MAR-TRE-a9136c7b-62
0.345
MAR-TRE-9d18ae8c-60
0.345
MAR-TRE-9d18ae8c-98
0.345
MAR-TRE-c317dd82-41
0.342
MAR-TRE-66ac689e-58
0.342
MAR-TRE-66ac689e-62
0.342
MAR-TRE-8190bb11-97
0.342
MAR-TRE-be9ff7d2-3
0.342
MAR-TRE-799db12b-61
0.342
MAR-TRE-799db12b-96
0.342
MAR-TRE-8190bb11-54
0.342
MAR-TRE-92684b97-77
0.342
MAR-TRE-a9136c7b-48
0.342
MAR-TRE-66ac689e-41
0.342
MAR-TRE-799db12b-50
0.341
MAR-TRE-9d18ae8c-37
0.341
MAR-TRE-e82e6c98-88
0.341
MAR-TRE-c317dd82-48
0.338
MAR-TRE-8190bb11-71
0.338
MAR-TRE-c317dd82-96
0.338
MAR-TRE-66ac689e-95
0.338
MAR-TRE-92684b97-71
0.338
MAR-TRE-be9ff7d2-64
0.337
MAR-TRE-a9136c7b-49
0.337
MAR-TRE-799db12b-80
0.337
MAR-TRE-9d18ae8c-41
0.337
MAR-TRE-a9136c7b-35
0.337
MAR-TRE-a9136c7b-69
0.337
MAR-TRE-799db12b-78
0.337
MAR-TRE-66ac689e-36
0.337
MAR-TRE-a9136c7b-21
0.337
MAR-TRE-92684b97-17
0.333
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-a9136c7b-93
0.333
MAR-TRE-4f781e27-39
0.333
MAR-TRE-9d18ae8c-28
0.333
MAR-TRE-799db12b-31
0.333
MAR-TRE-66ac689e-42
0.333
MAR-TRE-66ac689e-49
0.333
MAR-TRE-66ac689e-80
0.333
MAR-TRE-66ac689e-93
0.333