Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1cccc(N2CCNC2=O)c1 |
MW: | 311.14 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.22 |
cLogP: | 1.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-45
0.693
MAR-TRE-799db12b-49
0.693
MAR-TRE-66ac689e-45
0.613
MAR-TRE-799db12b-99
0.531
MAR-TRE-66ac689e-72
0.506
MAR-TRE-66ac689e-22
0.494
MAR-TRE-66ac689e-27
0.494
MAR-TRE-799db12b-73
0.494
MAR-TRE-9d18ae8c-9
0.459
MAR-TRE-4f781e27-59
0.458
MAR-TRE-799db12b-32
0.444
MAR-TRE-799db12b-100
0.439
MAR-TRE-799db12b-82
0.435
MAR-TRE-a9136c7b-13
0.433
MAR-TRE-a9136c7b-19
0.432
MAR-TRE-a9136c7b-57
0.430
MAR-TRE-9d18ae8c-62
0.426
MAR-TRE-8190bb11-5
0.410
MAK-UNK-c8c8f7e2-14
0.403
MAK-UNK-7a704a63-2
0.403
MAR-TRE-8190bb11-90
0.398
MAR-TRE-66ac689e-3
0.390
MAR-TRE-8190bb11-28
0.383
MAR-TRE-a9136c7b-8
0.376
MAR-TRE-8190bb11-98
0.369
MAR-TRE-66ac689e-66
0.368
MAR-TRE-9d18ae8c-80
0.364
MAR-TRE-8190bb11-10
0.360
MAR-TRE-a9136c7b-42
0.360
MAR-TRE-4f781e27-29
0.357
MAR-TRE-92684b97-77
0.357
MAR-TRE-9d18ae8c-37
0.356
MAR-TRE-66ac689e-85
0.356
MAR-TRE-66ac689e-77
0.356
MAR-TRE-c317dd82-96
0.354
MAR-TRE-8190bb11-71
0.354
MAR-TRE-66ac689e-97
0.352
MAR-TRE-a9136c7b-69
0.352
MAR-TRE-799db12b-19
0.351
MAR-TRE-92684b97-17
0.349
MAR-TRE-8190bb11-59
0.349
MAR-TRE-92684b97-35
0.349
MAR-TRE-66ac689e-93
0.349
MAR-TRE-4f781e27-14
0.349
MAR-TRE-92684b97-86
0.349
MAR-TRE-a9136c7b-77
0.348
MAR-TRE-66ac689e-68
0.345
MAR-TRE-4f781e27-45
0.345
MAR-TRE-92684b97-85
0.345
MAR-TRE-a9136c7b-62
0.344
MAR-TRE-799db12b-69
0.344
MAR-TRE-66ac689e-58
0.341
MAR-TRE-66ac689e-41
0.341
MAR-TRE-66ac689e-84
0.341
MAR-TRE-a9136c7b-82
0.341
MAR-TRE-4f781e27-38
0.341
MAR-TRE-92684b97-18
0.341
MAR-TRE-66ac689e-54
0.340
MAR-TRE-be9ff7d2-64
0.337
MAR-TRE-4f781e27-20
0.337
MAR-TRE-9d18ae8c-22
0.337
MAR-TRE-a9136c7b-35
0.337
MAR-TRE-9d18ae8c-65
0.337
MAR-TRE-a9136c7b-93
0.333
MAR-TRE-66ac689e-42
0.333
MAR-TRE-92684b97-100
0.333
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-66ac689e-40
0.330
MAR-TRE-66ac689e-61
0.330
MAR-TRE-4f781e27-71
0.330
MAR-TRE-92684b97-15
0.330
MAR-TRE-66ac689e-100
0.330
MAR-TRE-8190bb11-11
0.329
MAR-TRE-e82e6c98-88
0.326
MAR-TRE-a9136c7b-74
0.326
MAR-TRE-92684b97-36
0.326
MAR-TRE-9d18ae8c-4
0.326
MAR-TRE-9d18ae8c-57
0.326
MAR-TRE-9d18ae8c-99
0.326
MAR-TRE-8190bb11-97
0.326
MAR-TRE-e82e6c98-30
0.325
MAR-TRE-66ac689e-62
0.325
MAR-TRE-9d18ae8c-59
0.325
MAR-TRE-92684b97-12
0.323
MAR-TRE-9d18ae8c-3
0.323
MAR-TRE-8190bb11-93
0.323
MAR-TRE-92684b97-16
0.323
MAR-TRE-c317dd82-24
0.322
MAR-TRE-9d18ae8c-67
0.322
MAR-TRE-66ac689e-95
0.322
MAR-TRE-9d18ae8c-1
0.319
MAR-TRE-8190bb11-89
0.319
MAR-TRE-c317dd82-42
0.319
MAR-TRE-a9136c7b-67
0.319
MAR-TRE-66ac689e-56
0.319
MAR-TRE-66ac689e-92
0.319
MAR-TRE-8190bb11-6
0.319
MAR-TRE-4f781e27-68
0.319
MAR-TRE-92684b97-29
0.319
MAR-TRE-a9136c7b-33
0.318