Molecular Properties | |
SMILES: | COc1cccc(CC(C)(C)NC(=O)c2cncnc2)c1 |
MW: | 285.15 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 64.11 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-37
0.521
MAR-TRE-4f781e27-56
0.514
MAR-TRE-4f781e27-35
0.514
MAR-TRE-799db12b-90
0.513
MAR-TRE-8190bb11-70
0.500
MAR-TRE-9d18ae8c-86
0.481
MAR-TRE-9d18ae8c-24
0.475
MAR-TRE-9d18ae8c-19
0.475
MAR-TRE-66ac689e-98
0.453
MAR-TRE-66ac689e-23
0.444
MAR-TRE-92684b97-14
0.442
MAR-TRE-92684b97-77
0.432
MAR-TRE-66ac689e-97
0.423
MAR-TRE-66ac689e-93
0.421
MAR-TRE-9d18ae8c-13
0.420
MAR-TRE-799db12b-41
0.419
MAR-TRE-92684b97-29
0.418
MAR-TRE-66ac689e-69
0.417
MAR-TRE-799db12b-87
0.412
MAR-TRE-799db12b-75
0.407
MAR-TRE-a9136c7b-78
0.402
MAR-TRE-4f781e27-20
0.402
MAR-TRE-8190bb11-36
0.390
MAR-TRE-4f781e27-74
0.390
MAR-TRE-799db12b-44
0.388
MAR-TRE-a9136c7b-81
0.385
MAR-TRE-a9136c7b-5
0.384
MAR-TRE-799db12b-92
0.384
MAR-TRE-e82e6c98-14
0.383
MAR-TRE-9d18ae8c-90
0.378
MAR-TRE-e82e6c98-9
0.377
MAR-TRE-9d18ae8c-53
0.370
MAR-TRE-be9ff7d2-49
0.368
MAR-TRE-66ac689e-70
0.368
MAR-TRE-66ac689e-86
0.368
MAR-TRE-66ac689e-14
0.368
MAR-TRE-4f781e27-32
0.368
MAR-TRE-8190bb11-62
0.368
MAR-TRE-799db12b-19
0.368
MAR-TRE-92684b97-12
0.368
MAR-TRE-799db12b-66
0.367
MAR-TRE-92684b97-82
0.366
MAR-TRE-66ac689e-75
0.365
MAR-TRE-4f781e27-78
0.365
MAR-TRE-e82e6c98-76
0.364
MAR-TRE-a9136c7b-98
0.362
MAR-TRE-8190bb11-77
0.362
MAR-TRE-4f781e27-16
0.362
MAR-TRE-92684b97-85
0.362
MAR-TRE-8190bb11-74
0.362
MAR-TRE-8190bb11-38
0.361
MAR-TRE-be9ff7d2-65
0.360
MAR-TRE-799db12b-33
0.357
MAR-TRE-8190bb11-4
0.357
MAR-TRE-92684b97-66
0.355
MAR-TRE-799db12b-84
0.354
MAR-TRE-92684b97-11
0.354
MAR-TRE-799db12b-47
0.354
MAR-TRE-be9ff7d2-28
0.354
MAR-TRE-be9ff7d2-64
0.354
MAR-TRE-92684b97-81
0.354
MAR-TRE-4f781e27-47
0.353
MAR-TRE-66ac689e-57
0.351
MAR-TRE-c317dd82-76
0.350
MAR-TRE-8190bb11-22
0.350
MAR-TRE-92684b97-83
0.350
MAR-TRE-92684b97-86
0.350
MAR-TRE-799db12b-94
0.350
MAR-TRE-4f781e27-80
0.349
MAR-TRE-92684b97-92
0.349
MAR-TRE-8190bb11-85
0.347
MAR-TRE-92684b97-26
0.346
MAR-TRE-e82e6c98-39
0.346
MAR-TRE-8190bb11-49
0.346
EDJ-MED-e58735b6-1
0.346
MAR-TRE-92684b97-73
0.345
MAR-TRE-a9136c7b-45
0.345
MAR-TRE-9d18ae8c-43
0.345
MAR-TRE-92684b97-1
0.345
MAR-TRE-66ac689e-18
0.342
MAR-TRE-c317dd82-46
0.342
MAR-TRE-799db12b-50
0.341
MAR-TRE-66ac689e-37
0.341
MAR-TRE-66ac689e-73
0.341
MAR-TRE-8190bb11-92
0.341
MAR-TRE-799db12b-24
0.341
MAR-TRE-66ac689e-89
0.341
MAR-TRE-799db12b-80
0.337
MAR-TRE-799db12b-78
0.337
MAR-TRE-be9ff7d2-17
0.333
MAR-TRE-799db12b-27
0.333
MAR-TRE-66ac689e-12
0.333
MAR-TRE-9d18ae8c-48
0.333
MAR-TRE-9d18ae8c-80
0.333
MAR-TRE-66ac689e-99
0.333
MAR-TRE-e82e6c98-11
0.333
MAR-TRE-799db12b-16
0.333
MAR-TRE-799db12b-46
0.333
MAR-TRE-4f781e27-14
0.333
MAR-TRE-9d18ae8c-6
0.333