Molecular Properties | |
SMILES: | COc1ccc(OC)c(C(O)CNC(=O)c2cncnc2)c1 |
MW: | 303.12 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 93.57 |
cLogP: | 0.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-49
0.582
MAR-TRE-66ac689e-98
0.563
MAR-TRE-be9ff7d2-64
0.548
MAR-TRE-799db12b-87
0.474
MAR-TRE-a9136c7b-78
0.463
MAR-TRE-be9ff7d2-7
0.452
MAR-TRE-8190bb11-68
0.444
MAR-TRE-8190bb11-18
0.434
MAR-TRE-a9136c7b-5
0.424
MAR-TRE-a9136c7b-98
0.423
MAR-TRE-799db12b-84
0.416
MAR-TRE-be9ff7d2-86
0.400
MAR-TRE-8190bb11-67
0.398
MAR-TRE-be9ff7d2-73
0.395
MAR-TRE-4f781e27-9
0.395
MAR-TRE-92684b97-14
0.395
MAR-TRE-92684b97-91
0.390
MAR-TRE-e82e6c98-76
0.390
MAR-TRE-be9ff7d2-57
0.384
MAR-TRE-8190bb11-58
0.383
MAR-TRE-4f781e27-58
0.383
MAR-TRE-8190bb11-95
0.378
MAR-TRE-66ac689e-57
0.377
MAR-TRE-799db12b-78
0.376
MAR-TRE-92684b97-46
0.376
MAR-TRE-9d18ae8c-13
0.376
MAR-TRE-66ac689e-69
0.375
MAR-TRE-4f781e27-56
0.373
MAR-TRE-8190bb11-76
0.372
MAR-TRE-4f781e27-84
0.372
MAR-TRE-92684b97-10
0.371
MAR-TRE-799db12b-32
0.370
MAR-TRE-799db12b-79
0.370
MAR-TRE-8190bb11-77
0.370
MAR-TRE-4f781e27-16
0.370
MAR-TRE-8190bb11-38
0.369
MAR-TRE-92684b97-96
0.369
MAR-TRE-66ac689e-18
0.367
MAR-TRE-92684b97-77
0.367
MAR-TRE-92684b97-75
0.367
MAR-TRE-9d18ae8c-99
0.366
MAR-TRE-e82e6c98-56
0.366
MAR-TRE-799db12b-5
0.366
MAR-TRE-8190bb11-70
0.365
MAR-TRE-e82e6c98-77
0.364
MAR-TRE-8190bb11-13
0.364
MAR-TRE-be9ff7d2-43
0.362
MAR-TRE-799db12b-47
0.362
MAR-TRE-8190bb11-78
0.362
MAR-TRE-66ac689e-97
0.361
MAR-TRE-a9136c7b-49
0.361
MAR-TRE-4f781e27-37
0.361
MAR-TRE-92684b97-47
0.361
MAR-TRE-a9136c7b-9
0.360
MAR-TRE-66ac689e-23
0.359
MAR-TRE-66ac689e-93
0.358
MAR-TRE-799db12b-46
0.358
MAR-TRE-799db12b-94
0.358
MAR-TRE-4f781e27-35
0.357
MAR-TRE-92684b97-82
0.357
MAR-TRE-92684b97-92
0.356
MAR-TRE-8190bb11-24
0.355
MAR-TRE-8190bb11-85
0.355
MAR-TRE-8190bb11-49
0.354
MAR-TRE-be9ff7d2-40
0.354
MAR-TRE-92684b97-73
0.353
MAR-TRE-be9ff7d2-95
0.352
MAR-TRE-799db12b-85
0.352
MAR-TRE-9d18ae8c-86
0.352
MAR-TRE-be9ff7d2-5
0.352
MAR-TRE-4f781e27-36
0.349
MAR-TRE-e82e6c98-58
0.349
MAR-TRE-799db12b-50
0.349
MAR-TRE-66ac689e-87
0.349
MAR-TRE-799db12b-98
0.348
MAR-TRE-9d18ae8c-19
0.348
MAR-TRE-9d18ae8c-24
0.348
MAR-TRE-c317dd82-38
0.348
MAR-TRE-92684b97-72
0.346
MAR-TRE-92684b97-88
0.346
MAR-TRE-799db12b-80
0.345
MAR-TRE-a9136c7b-70
0.345
MAR-TRE-9d18ae8c-30
0.345
MAR-TRE-4f781e27-83
0.345
MAR-TRE-799db12b-90
0.345
MAR-TRE-4f781e27-20
0.345
MAR-TRE-a9136c7b-69
0.345
MAR-TRE-4f781e27-22
0.341
MAR-TRE-92684b97-29
0.341
MAR-TRE-799db12b-35
0.338
MAR-TRE-799db12b-41
0.338
MAR-TRE-92684b97-54
0.337
MAR-TRE-9d18ae8c-90
0.337
MAR-TRE-e82e6c98-95
0.337
MAR-TRE-a9136c7b-46
0.337
MAR-TRE-a9136c7b-59
0.337
MAR-TRE-4f781e27-81
0.337
MAR-TRE-92684b97-1
0.337
MAR-TRE-92684b97-32
0.337
MAR-TRE-92684b97-4
0.337