Molecular Properties | |
SMILES: | COc1ccc(C(C)(NC(=O)c2cncnc2)C(=O)O)cc1 |
MW: | 301.11 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 101.41 |
cLogP: | 1.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-41
0.737
MAR-TRE-66ac689e-75
0.696
MAR-TRE-4f781e27-78
0.696
MAR-TRE-66ac689e-14
0.661
MAR-TRE-be9ff7d2-65
0.548
MAR-TRE-66ac689e-86
0.531
MAR-TRE-8190bb11-36
0.530
MAR-TRE-4f781e27-74
0.530
MAR-TRE-66ac689e-70
0.508
MAR-TRE-4f781e27-32
0.485
MAR-TRE-8190bb11-62
0.485
MAR-TRE-a9136c7b-81
0.478
MAR-TRE-c317dd82-76
0.457
MAR-TRE-8190bb11-22
0.457
MAR-TRE-8190bb11-74
0.451
MAR-TRE-e82e6c98-9
0.449
MAR-TRE-8190bb11-58
0.444
MAR-TRE-8190bb11-92
0.444
MAR-TRE-799db12b-66
0.437
MAR-TRE-799db12b-90
0.434
MAR-TRE-66ac689e-18
0.429
MAR-TRE-799db12b-50
0.425
MAR-TRE-66ac689e-57
0.420
MAR-TRE-be9ff7d2-28
0.419
MAR-TRE-92684b97-26
0.414
MAR-TRE-799db12b-47
0.403
MAR-TRE-799db12b-84
0.403
MAR-TRE-799db12b-80
0.400
MAR-TRE-799db12b-46
0.397
MAR-TRE-e82e6c98-11
0.397
MAR-TRE-799db12b-94
0.397
MAR-TRE-a9136c7b-98
0.392
MAR-TRE-799db12b-75
0.385
MAR-TRE-4f781e27-37
0.382
MAR-TRE-8190bb11-85
0.377
MAR-TRE-799db12b-31
0.377
MAR-TRE-4f781e27-56
0.377
MAR-TRE-9d18ae8c-85
0.375
MAR-TRE-8190bb11-77
0.373
MAR-TRE-92684b97-73
0.372
MAR-TRE-a9136c7b-59
0.372
MAR-TRE-e82e6c98-15
0.371
MAR-TRE-799db12b-28
0.367
MAR-TRE-66ac689e-89
0.367
MAR-TRE-8190bb11-67
0.367
MAR-TRE-a9136c7b-69
0.362
MAR-TRE-4f781e27-60
0.362
MAR-TRE-be9ff7d2-49
0.361
MAR-TRE-9d18ae8c-40
0.360
MAR-TRE-66ac689e-93
0.360
MAR-TRE-e82e6c98-14
0.359
MAR-TRE-92684b97-92
0.358
MAR-TRE-9d18ae8c-21
0.356
MAR-TRE-e82e6c98-39
0.356
MAR-TRE-e82e6c98-76
0.356
MAR-TRE-66ac689e-98
0.355
MAR-TRE-8190bb11-49
0.355
MAR-TRE-9d18ae8c-90
0.354
MAR-TRE-8190bb11-38
0.354
MAR-TRE-92684b97-1
0.354
MAR-TRE-92684b97-77
0.351
MAR-TRE-8190bb11-70
0.350
MAR-TRE-c317dd82-14
0.350
MAR-TRE-9d18ae8c-24
0.349
MAR-TRE-66ac689e-97
0.346
MAR-TRE-be9ff7d2-64
0.346
MAR-TRE-4f781e27-83
0.346
MAR-TRE-92684b97-83
0.342
MAR-TRE-4f781e27-35
0.342
MAR-TRE-85681e92-91
0.338
MAR-TRE-92684b97-40
0.338
MAR-TRE-9d18ae8c-86
0.337
MAR-TRE-92684b97-4
0.337
MAR-TRE-9d18ae8c-19
0.333
MAR-TRE-c317dd82-82
0.333
MAR-TRE-9d18ae8c-99
0.333
MAR-TRE-c317dd82-46
0.333
MAR-TRE-be9ff7d2-73
0.333
MAR-TRE-e82e6c98-89
0.333
MAR-TRE-799db12b-44
0.329
MAR-TRE-799db12b-70
0.329
MAR-TRE-92684b97-14
0.329
MAR-TRE-a9136c7b-49
0.329
MAR-TRE-9d18ae8c-42
0.329
MAR-TRE-92684b97-11
0.329
MAR-TRE-8190bb11-78
0.329
MAR-TRE-92684b97-29
0.325
MAR-TRE-4f781e27-22
0.325
MAR-TRE-92684b97-93
0.321
MAR-TRE-a9136c7b-45
0.321
MAR-TRE-92684b97-96
0.321
MAR-TRE-c317dd82-44
0.321
MAR-TRE-799db12b-87
0.321
MAR-TRE-92684b97-54
0.321
MAR-TRE-4f781e27-16
0.321
MAR-TRE-799db12b-32
0.321
MAR-TRE-be9ff7d2-40
0.321
MAR-TRE-799db12b-79
0.321
MAR-TRE-be9ff7d2-15
0.321
MAR-TRE-9d18ae8c-73
0.320