Molecular Properties | |
SMILES: | COc1ccc(CC(CO)CNC(=O)c2cncnc2)cc1O |
MW: | 317.14 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 104.57 |
cLogP: | 0.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-88
0.577
MAR-TRE-8190bb11-18
0.506
MAR-TRE-8190bb11-76
0.476
MAR-TRE-e82e6c98-14
0.444
MAR-TRE-be9ff7d2-49
0.434
MAR-TRE-66ac689e-87
0.417
MAR-TRE-4f781e27-84
0.410
MAR-TRE-92684b97-91
0.410
MAR-TRE-66ac689e-98
0.407
MAR-TRE-799db12b-84
0.400
MAR-TRE-8190bb11-95
0.398
MAR-TRE-92684b97-47
0.398
MAR-TRE-a9136c7b-5
0.393
MAR-TRE-8190bb11-49
0.390
MAR-TRE-799db12b-87
0.388
MAR-TRE-8190bb11-97
0.388
MAR-TRE-92684b97-75
0.388
MAR-TRE-4f781e27-58
0.386
MAR-TRE-e82e6c98-56
0.386
MAR-TRE-4f781e27-36
0.386
MAR-TRE-92684b97-72
0.383
MAR-TRE-a9136c7b-78
0.379
MAR-TRE-92684b97-96
0.372
MAR-TRE-799db12b-48
0.368
MAR-TRE-e82e6c98-77
0.367
MAR-TRE-92684b97-46
0.364
MAR-TRE-4f781e27-56
0.360
MAR-TRE-be9ff7d2-67
0.360
MAR-TRE-92684b97-92
0.360
MAR-TRE-be9ff7d2-7
0.359
MAR-TRE-799db12b-32
0.357
MAR-TRE-8190bb11-70
0.352
MAR-TRE-8190bb11-13
0.350
MAR-TRE-8190bb11-78
0.349
MAR-TRE-a9136c7b-49
0.349
MAR-TRE-66ac689e-69
0.348
MAR-TRE-66ac689e-57
0.346
MAR-TRE-4f781e27-77
0.345
MAR-TRE-92684b97-82
0.345
MAR-TRE-8190bb11-24
0.342
MAR-TRE-8190bb11-85
0.342
MAR-TRE-e82e6c98-76
0.341
MAR-TRE-799db12b-35
0.341
MAR-TRE-66ac689e-88
0.341
MAR-TRE-799db12b-79
0.341
MAR-TRE-4f781e27-16
0.341
MAR-TRE-9d18ae8c-86
0.341
MAR-TRE-e82e6c98-58
0.337
MAR-TRE-be9ff7d2-86
0.337
MAR-TRE-799db12b-5
0.337
MAR-TRE-9d18ae8c-19
0.337
MAR-TRE-be9ff7d2-43
0.333
MAR-TRE-be9ff7d2-64
0.333
MAR-TRE-e82e6c98-97
0.333
MAR-TRE-92684b97-10
0.333
MAR-TRE-92684b97-11
0.333
MAR-TRE-92684b97-14
0.333
MAR-TRE-799db12b-78
0.333
MAR-TRE-92684b97-78
0.333
MAR-TRE-e82e6c98-54
0.333
MAR-TRE-a9136c7b-70
0.333
MAR-TRE-be9ff7d2-90
0.333
MAR-TRE-8190bb11-69
0.329
MAR-TRE-4f781e27-22
0.329
MAR-TRE-66ac689e-12
0.329
MAR-TRE-e82e6c98-57
0.329
MAR-TRE-be9ff7d2-5
0.326
MAR-TRE-be9ff7d2-40
0.326
MAR-TRE-92684b97-54
0.326
MAR-TRE-a9136c7b-98
0.326
MAR-TRE-4f781e27-99
0.325
MAR-TRE-4f781e27-49
0.325
MAR-TRE-9d18ae8c-24
0.323
MAR-TRE-799db12b-2
0.322
MAR-TRE-799db12b-33
0.322
MAR-TRE-be9ff7d2-3
0.321
MAR-TRE-8190bb11-50
0.321
MAR-TRE-a9136c7b-92
0.321
MAR-TRE-9d18ae8c-13
0.319
MAR-TRE-4f781e27-83
0.319
MAR-TRE-66ac689e-97
0.318
MAR-TRE-799db12b-44
0.318
MAR-TRE-4f781e27-37
0.318
MAR-TRE-e82e6c98-91
0.318
MAR-TRE-799db12b-47
0.318
MAR-TRE-4f781e27-85
0.317
MAR-TRE-799db12b-16
0.315
MAR-TRE-8190bb11-86
0.315
MAR-TRE-4f781e27-35
0.315
MAR-TRE-799db12b-27
0.315
MAR-TRE-be9ff7d2-17
0.314
MAR-TRE-e82e6c98-16
0.314
MAR-TRE-9d18ae8c-48
0.314
MAR-TRE-c317dd82-35
0.314
MAR-TRE-8190bb11-42
0.313
MAR-TRE-4f781e27-12
0.313
MAR-TRE-85681e92-46
0.313
MAR-TRE-a9136c7b-13
0.312
MAR-TRE-9d18ae8c-11
0.312
MAR-TRE-92684b97-4
0.312