Molecular Properties | |
SMILES: | COc1cccc(C(CNC(=O)c2cncnc2)N(C)C)c1 |
MW: | 300.16 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 67.35 |
cLogP: | 1.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-78
0.788
MAR-TRE-66ac689e-98
0.672
MAR-TRE-a9136c7b-5
0.584
MAR-TRE-92684b97-77
0.535
MAR-TRE-66ac689e-93
0.521
MAR-TRE-66ac689e-97
0.520
MAR-TRE-92684b97-29
0.513
MAR-TRE-be9ff7d2-49
0.507
MAR-TRE-4f781e27-20
0.494
MAR-TRE-9d18ae8c-19
0.476
MAR-TRE-e82e6c98-14
0.474
MAR-TRE-92684b97-14
0.462
MAR-TRE-66ac689e-69
0.452
MAR-TRE-799db12b-19
0.452
MAR-TRE-92684b97-12
0.452
MAR-TRE-9d18ae8c-13
0.439
MAR-TRE-be9ff7d2-7
0.430
MAR-TRE-9d18ae8c-24
0.424
MAR-TRE-4f781e27-35
0.420
MAR-TRE-4f781e27-56
0.420
MAR-TRE-8190bb11-58
0.412
MAR-TRE-799db12b-48
0.410
MAR-TRE-8190bb11-70
0.410
MAR-TRE-4f781e27-37
0.407
MAR-TRE-799db12b-90
0.405
MAR-TRE-9d18ae8c-86
0.395
MAR-TRE-799db12b-84
0.392
MAR-TRE-8190bb11-68
0.388
MAR-TRE-799db12b-46
0.388
MAR-TRE-799db12b-94
0.388
MAR-TRE-92684b97-91
0.386
MAR-TRE-e82e6c98-76
0.385
MAR-TRE-4f781e27-71
0.381
MAR-TRE-66ac689e-18
0.380
MAR-TRE-8190bb11-18
0.379
MAR-TRE-92684b97-1
0.379
MAR-TRE-799db12b-50
0.378
MAR-TRE-4f781e27-36
0.378
MAR-TRE-e82e6c98-56
0.378
MAR-TRE-799db12b-47
0.375
MAR-TRE-92684b97-47
0.373
MAR-TRE-66ac689e-57
0.372
MAR-TRE-799db12b-27
0.369
MAR-TRE-92684b97-82
0.369
MAR-TRE-9d18ae8c-80
0.369
MAR-TRE-8190bb11-76
0.368
MAR-TRE-4f781e27-16
0.366
MAR-TRE-92684b97-54
0.366
MAR-TRE-a9136c7b-98
0.366
MAR-TRE-a9136c7b-59
0.365
MAR-TRE-be9ff7d2-95
0.364
MAR-TRE-92684b97-4
0.364
MAR-TRE-66ac689e-84
0.361
MAR-TRE-be9ff7d2-73
0.360
MAR-TRE-e82e6c98-77
0.359
MAR-TRE-be9ff7d2-64
0.357
MAR-TRE-799db12b-80
0.357
MAR-TRE-92684b97-46
0.356
MAR-TRE-799db12b-92
0.356
MAR-TRE-92684b97-86
0.354
MAR-TRE-9d18ae8c-48
0.354
MAR-TRE-4f781e27-14
0.354
MAR-TRE-799db12b-31
0.353
MAR-TRE-4f781e27-77
0.353
MAR-TRE-92684b97-92
0.352
MAR-TRE-92684b97-2
0.352
MAR-TRE-4f781e27-49
0.351
MAR-TRE-4f781e27-84
0.350
MAR-TRE-a9136c7b-28
0.349
MAR-TRE-799db12b-32
0.349
MAR-TRE-66ac689e-68
0.349
MAR-TRE-8190bb11-10
0.349
MAR-TRE-8190bb11-77
0.349
MAR-TRE-4f781e27-45
0.349
MAR-TRE-92684b97-85
0.349
MAR-TRE-8190bb11-38
0.349
MAR-TRE-92684b97-73
0.349
MAR-TRE-9d18ae8c-90
0.349
MAR-TRE-92684b97-32
0.348
MAR-TRE-66ac689e-41
0.346
MAR-TRE-92684b97-75
0.346
MAR-TRE-2fd8122f-97
0.345
MAR-TRE-9d18ae8c-99
0.345
MAR-TRE-66ac689e-37
0.345
MAR-TRE-66ac689e-22
0.345
MAR-TRE-799db12b-24
0.345
MAR-TRE-799db12b-33
0.345
MAR-TRE-8190bb11-67
0.345
MAR-TRE-4b834d9a-73
0.344
MAR-TRE-4f781e27-9
0.344
MAR-TRE-be9ff7d2-43
0.341
MAR-TRE-66ac689e-95
0.341
MAR-TRE-4f781e27-43
0.341
MAR-TRE-92684b97-71
0.341
MAR-TRE-92684b97-72
0.341
MAR-TRE-92684b97-88
0.341
MAR-TRE-9d18ae8c-53
0.341
MAR-TRE-92684b97-81
0.341
MAR-TRE-a9136c7b-49
0.341
MAR-TRE-799db12b-44
0.341