Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1ccc2c(c1)CC(=O)N2 |
MW: | 282.11 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 83.98 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-19
0.532
MAR-TRE-4f781e27-92
0.500
MAR-TRE-66ac689e-45
0.487
MAR-TRE-799db12b-100
0.487
MAR-TRE-8190bb11-5
0.479
MAR-TRE-799db12b-32
0.474
MAR-TRE-66ac689e-27
0.468
MAR-TRE-66ac689e-22
0.468
MAR-TRE-799db12b-82
0.463
MAR-TRE-66ac689e-72
0.461
MAR-TRE-799db12b-36
0.458
MAR-TRE-66ac689e-3
0.453
MAR-TRE-799db12b-73
0.449
MAR-TRE-799db12b-49
0.435
MAR-TRE-799db12b-45
0.435
MAR-TRE-799db12b-99
0.434
MAR-TRE-a9136c7b-13
0.425
MAR-TRE-9d18ae8c-9
0.417
MAR-TRE-9d18ae8c-98
0.398
MAR-TRE-799db12b-83
0.388
MAR-TRE-9d18ae8c-62
0.387
MAR-TRE-e82e6c98-88
0.376
MAR-TRE-a9136c7b-35
0.372
MAR-TRE-92684b97-100
0.369
MAR-TRE-9d18ae8c-59
0.364
MAR-TRE-66ac689e-85
0.361
MAR-TRE-92684b97-94
0.360
MAR-TRE-92684b97-36
0.360
MAR-TRE-a9136c7b-74
0.360
MAR-TRE-8190bb11-98
0.358
MAR-TRE-66ac689e-66
0.357
MAR-TRE-be9ff7d2-47
0.355
MAR-TRE-66ac689e-57
0.354
MAR-TRE-799db12b-94
0.354
MAR-TRE-66ac689e-56
0.353
MAR-TRE-8190bb11-89
0.353
MAR-TRE-9d18ae8c-21
0.350
MAR-TRE-9d18ae8c-85
0.350
MAR-TRE-8190bb11-47
0.350
MAR-TRE-92684b97-80
0.350
MAR-TRE-a9136c7b-62
0.349
MAR-TRE-66ac689e-58
0.346
MAR-TRE-e82e6c98-30
0.346
MAR-TRE-66ac689e-18
0.346
MAR-TRE-799db12b-61
0.346
MAR-TRE-8190bb11-72
0.346
MAR-TRE-799db12b-50
0.345
MAR-TRE-4f781e27-38
0.345
MAR-TRE-799db12b-28
0.345
MAR-TRE-a9136c7b-82
0.345
MAR-TRE-92684b97-56
0.342
MAR-TRE-c317dd82-96
0.342
MAR-TRE-799db12b-47
0.341
MAR-TRE-799db12b-80
0.341
MAR-TRE-a9136c7b-69
0.341
MAR-TRE-799db12b-19
0.341
MAR-TRE-799db12b-46
0.337
MAR-TRE-9d18ae8c-40
0.337
MAR-TRE-799db12b-55
0.337
MAR-TRE-66ac689e-42
0.337
MAR-TRE-9d18ae8c-80
0.337
MAR-TRE-a9136c7b-8
0.337
MAR-TRE-e82e6c98-70
0.333
MAR-TRE-9d18ae8c-87
0.333
MAR-TRE-a9136c7b-59
0.333
MAR-TRE-799db12b-79
0.333
MAR-TRE-66ac689e-100
0.333
MAR-TRE-8190bb11-10
0.333
MAR-TRE-9d18ae8c-4
0.330
MAR-TRE-66ac689e-77
0.330
MAR-TRE-66ac689e-71
0.329
MAR-TRE-9d18ae8c-37
0.329
MAR-TRE-a9136c7b-55
0.329
MAR-TRE-8190bb11-54
0.329
MAR-TRE-8190bb11-97
0.329
MAR-TRE-4f781e27-29
0.329
MAR-TRE-799db12b-96
0.329
MAR-TRE-92684b97-77
0.329
MAR-TRE-66ac689e-62
0.329
MAR-TRE-92684b97-63
0.329
MAR-TRE-4f781e27-70
0.329
MAR-TRE-c317dd82-41
0.329
MAR-TRE-8190bb11-90
0.326
MAR-TRE-799db12b-58
0.326
MAR-TRE-a9136c7b-49
0.326
MAR-TRE-a9136c7b-70
0.326
MAR-TRE-9d18ae8c-41
0.326
MAR-TRE-c317dd82-24
0.326
MAR-TRE-be9ff7d2-64
0.326
MAR-TRE-66ac689e-82
0.326
MAR-TRE-92684b97-71
0.325
MAR-TRE-66ac689e-95
0.325
MAR-TRE-92684b97-87
0.325
MAR-TRE-8190bb11-71
0.325
MAR-TRE-c317dd82-48
0.325
MAR-TRE-9d18ae8c-1
0.322
MAR-TRE-a9136c7b-77
0.322
MAR-TRE-799db12b-31
0.322
MAR-TRE-4f781e27-68
0.322
MAR-TRE-c317dd82-42
0.322