Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1cccc(-n2cccn2)c1 |
MW: | 293.13 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.7 |
cLogP: | 2.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-36
0.613
MAR-TRE-799db12b-45
0.584
MAR-TRE-799db12b-49
0.584
MAR-TRE-66ac689e-72
0.542
MAR-TRE-799db12b-73
0.527
MAR-TRE-66ac689e-22
0.527
MAR-TRE-66ac689e-27
0.527
MAR-TRE-a9136c7b-13
0.494
MAR-TRE-9d18ae8c-9
0.487
MAR-TRE-4f781e27-59
0.487
MAR-TRE-799db12b-32
0.455
MAR-TRE-799db12b-100
0.449
MAR-TRE-799db12b-82
0.444
MAR-TRE-8190bb11-5
0.438
MAR-TRE-9d18ae8c-62
0.433
MAR-TRE-799db12b-99
0.417
MAR-TRE-66ac689e-3
0.416
MAR-TRE-a9136c7b-19
0.407
MAR-TRE-8190bb11-59
0.390
MAR-TRE-8190bb11-28
0.390
MAR-TRE-799db12b-19
0.386
MAR-TRE-a9136c7b-77
0.386
MAR-TRE-a9136c7b-93
0.386
MAR-TRE-8190bb11-10
0.383
MAR-TRE-92684b97-77
0.380
MAR-TRE-9d18ae8c-37
0.378
MAR-TRE-8190bb11-71
0.377
MAR-TRE-a9136c7b-82
0.376
MAR-TRE-8190bb11-98
0.375
MAR-TRE-66ac689e-97
0.373
MAR-TRE-be9ff7d2-47
0.373
MAR-TRE-4f781e27-20
0.372
MAR-TRE-a9136c7b-35
0.372
MAR-TRE-92684b97-17
0.372
MAR-TRE-92684b97-35
0.372
MAR-TRE-66ac689e-93
0.370
MAR-TRE-4f781e27-14
0.370
MAR-TRE-92684b97-86
0.370
MAR-TRE-66ac689e-56
0.369
MAR-TRE-66ac689e-92
0.369
MAR-TRE-9d18ae8c-80
0.369
MAR-TRE-4f781e27-45
0.366
MAR-TRE-92684b97-85
0.366
MAR-TRE-9d18ae8c-59
0.364
MAR-TRE-e82e6c98-30
0.364
MAR-TRE-4f781e27-29
0.362
MAR-TRE-66ac689e-41
0.362
MAR-TRE-66ac689e-85
0.361
MAR-TRE-9d18ae8c-57
0.361
MAR-TRE-66ac689e-84
0.361
MAR-TRE-66ac689e-77
0.360
MAR-TRE-66ac689e-66
0.357
MAR-TRE-66ac689e-82
0.357
MAR-TRE-8190bb11-90
0.356
MAR-TRE-8190bb11-93
0.356
MAR-TRE-92684b97-16
0.356
MAR-TRE-9d18ae8c-22
0.356
MAR-TRE-8190bb11-48
0.354
MAR-TRE-8190bb11-89
0.353
MAR-TRE-4f781e27-68
0.353
MAR-TRE-92684b97-29
0.353
MAR-TRE-a9136c7b-67
0.353
MAR-TRE-a9136c7b-8
0.352
MAR-TRE-799db12b-95
0.351
MAR-TRE-8190bb11-11
0.350
MAR-TRE-92684b97-80
0.350
MAR-TRE-66ac689e-68
0.349
MAR-TRE-66ac689e-100
0.349
MAR-TRE-4f781e27-71
0.349
MAR-TRE-92684b97-32
0.348
MAR-TRE-799db12b-23
0.346
MAR-TRE-4f781e27-38
0.345
MAR-TRE-92684b97-18
0.345
MAR-TRE-9d18ae8c-4
0.345
MAR-TRE-e82e6c98-88
0.345
MAR-TRE-799db12b-28
0.345
MAR-TRE-799db12b-91
0.342
MAR-TRE-9d18ae8c-67
0.341
MAR-TRE-799db12b-81
0.341
MAR-TRE-92684b97-12
0.341
MAR-TRE-9d18ae8c-3
0.341
MAR-TRE-66ac689e-57
0.338
MAR-TRE-9d18ae8c-97
0.337
MAR-TRE-8190bb11-6
0.337
MAR-TRE-92684b97-100
0.337
MAR-TRE-799db12b-31
0.337
MAR-TRE-9d18ae8c-1
0.337
MAR-TRE-8190bb11-56
0.333
MAR-TRE-92684b97-1
0.333
MAR-TRE-9d18ae8c-60
0.333
MAR-TRE-9d18ae8c-64
0.333
MAR-TRE-9d18ae8c-85
0.333
MAR-TRE-9d18ae8c-92
0.333
MAR-TRE-9d18ae8c-21
0.333
MAR-TRE-e82e6c98-70
0.333
MAR-TRE-8190bb11-91
0.333
MAR-TRE-be9ff7d2-6
0.333
MAR-TRE-9d18ae8c-19
0.330
MAR-TRE-9d18ae8c-24
0.330
MAR-TRE-8190bb11-70
0.330