Molecular Properties | |
SMILES: | COc1ccccc1C(NC(=O)c1cncnc1)c1noc(C)n1 |
MW: | 325.12 |
Fraction sp3: | 0.19 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.03 |
cLogP: | 1.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-36
0.694
MAR-TRE-4f781e27-51
0.595
MAR-TRE-9d18ae8c-99
0.581
MAR-TRE-66ac689e-94
0.573
MAR-TRE-92684b97-84
0.551
MAR-TRE-66ac689e-64
0.545
BAR-COM-4e090d3a-37
0.535
MAR-TRE-c317dd82-97
0.512
MAR-TRE-a9136c7b-26
0.500
MAR-TRE-a9136c7b-21
0.477
MAR-TRE-4f781e27-9
0.453
MAR-TRE-be9ff7d2-86
0.427
MAR-TRE-92684b97-32
0.425
MAR-TRE-4f781e27-86
0.425
MAR-TRE-8190bb11-67
0.424
MAR-TRE-92684b97-99
0.418
MAR-TRE-a9136c7b-98
0.415
MAR-TRE-be9ff7d2-3
0.412
MAR-TRE-4f781e27-40
0.407
MAR-TRE-799db12b-31
0.400
MAR-TRE-92684b97-77
0.395
MAR-TRE-be9ff7d2-64
0.388
MAR-TRE-92684b97-50
0.375
MAR-TRE-9d18ae8c-17
0.375
MAR-TRE-9d18ae8c-41
0.372
MAR-TRE-a9136c7b-49
0.372
MAR-TRE-be9ff7d2-47
0.372
MAR-TRE-4f781e27-20
0.371
MAR-TRE-8190bb11-91
0.367
MAR-TRE-92684b97-68
0.367
MAR-TRE-799db12b-79
0.365
MAR-TRE-92684b97-1
0.363
MAR-TRE-66ac689e-58
0.362
MAR-TRE-4f781e27-91
0.361
MAR-TRE-66ac689e-18
0.361
MAR-TRE-9d18ae8c-37
0.360
MAR-TRE-799db12b-28
0.360
MAR-TRE-92684b97-27
0.358
MAR-TRE-66ac689e-95
0.357
MAR-TRE-c317dd82-24
0.356
MAR-TRE-9d18ae8c-22
0.356
MAR-TRE-92684b97-12
0.355
MAR-TRE-66ac689e-57
0.354
MAR-TRE-66ac689e-93
0.353
MAR-TRE-799db12b-46
0.353
MAR-TRE-a9136c7b-93
0.352
MAR-TRE-e82e6c98-14
0.352
MAR-TRE-e82e6c98-31
0.352
MAR-TRE-9d18ae8c-64
0.349
MAR-TRE-9d18ae8c-87
0.349
MAR-TRE-a9136c7b-91
0.349
MAR-TRE-799db12b-32
0.349
MAR-TRE-92684b97-15
0.349
MAR-TRE-92684b97-93
0.348
MAR-TRE-a9136c7b-27
0.348
MAR-TRE-92684b97-63
0.346
MAR-TRE-4f781e27-70
0.346
MAR-TRE-e82e6c98-43
0.346
MAR-TRE-9d18ae8c-4
0.344
MAR-TRE-66ac689e-87
0.344
MAR-TRE-c317dd82-48
0.342
MAR-TRE-799db12b-91
0.341
MAR-TRE-799db12b-47
0.341
MAR-TRE-92684b97-71
0.341
MAR-TRE-8190bb11-98
0.341
MAR-TRE-92684b97-95
0.341
MAR-TRE-9d18ae8c-67
0.341
MAR-TRE-799db12b-80
0.341
MAR-TRE-66ac689e-97
0.341
MAR-TRE-a9136c7b-70
0.341
MAR-TRE-799db12b-78
0.341
MAR-TRE-799db12b-19
0.340
MAR-TRE-799db12b-94
0.337
MAR-TRE-66ac689e-42
0.337
MAR-TRE-92684b97-86
0.337
MAR-TRE-9d18ae8c-97
0.337
MAR-TRE-4f781e27-56
0.337
MAR-TRE-a9136c7b-77
0.337
MAR-TRE-4f781e27-68
0.337
MAR-TRE-92684b97-2
0.337
MAR-TRE-9d18ae8c-92
0.333
MAR-TRE-9d18ae8c-94
0.333
MAR-TRE-a9136c7b-13
0.333
MAR-TRE-a9136c7b-46
0.333
MAR-TRE-66ac689e-100
0.333
MAR-TRE-a9136c7b-59
0.333
MAR-TRE-8190bb11-11
0.333
MAR-TRE-92684b97-41
0.333
MAR-TRE-9d18ae8c-60
0.333
MAR-TRE-66ac689e-85
0.330
MAR-TRE-799db12b-50
0.330
MAR-TRE-9d18ae8c-8
0.330
MAR-TRE-a9136c7b-48
0.329
MAR-TRE-e82e6c98-30
0.329
MAR-TRE-92684b97-10
0.327
MAR-TRE-9d18ae8c-3
0.326
MAR-TRE-4f781e27-93
0.326
MAR-TRE-a9136c7b-58
0.326
MAR-TRE-a9136c7b-69
0.326
MAR-TRE-66ac689e-82
0.326