Molecular Properties | |
SMILES: | COc1ccc(C(CC(=O)O)NC(=O)c2cncnc2)cc1 |
MW: | 301.11 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.41 |
cLogP: | 1.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-46
0.793
MAR-TRE-799db12b-50
0.738
MAR-TRE-a9136c7b-59
0.730
MAR-TRE-66ac689e-57
0.724
MAR-TRE-9d18ae8c-59
0.719
MAR-TRE-799db12b-47
0.717
MAR-TRE-92684b97-56
0.707
MAR-TRE-9d18ae8c-21
0.683
MAR-TRE-799db12b-94
0.677
MAR-TRE-799db12b-80
0.672
MAR-TRE-66ac689e-97
0.646
MAR-TRE-e82e6c98-70
0.644
MAR-TRE-a9136c7b-49
0.621
MAR-TRE-a9136c7b-69
0.609
MAR-TRE-66ac689e-95
0.585
MAR-TRE-92684b97-71
0.585
MAR-TRE-66ac689e-80
0.576
MAR-TRE-9d18ae8c-40
0.576
MAR-TRE-92684b97-86
0.552
MAR-TRE-66ac689e-41
0.545
MAR-TRE-8190bb11-11
0.530
MAR-TRE-a9136c7b-71
0.521
MAR-TRE-92684b97-2
0.514
MAR-TRE-66ac689e-79
0.507
MAR-TRE-799db12b-31
0.500
MAR-TRE-799db12b-28
0.486
MAR-TRE-8190bb11-67
0.486
MAR-TRE-e82e6c98-46
0.486
MAR-TRE-c317dd82-94
0.486
MAR-TRE-66ac689e-62
0.485
MAR-TRE-9d18ae8c-24
0.481
MAR-TRE-4f781e27-71
0.473
MAR-TRE-4f781e27-73
0.471
MAR-TRE-66ac689e-49
0.471
MAR-TRE-92684b97-1
0.468
MAR-TRE-9d18ae8c-97
0.465
MAR-TRE-8190bb11-47
0.464
MAR-TRE-e82e6c98-13
0.458
MAR-TRE-66ac689e-93
0.444
MAR-TRE-9d18ae8c-19
0.443
MAR-TRE-4f781e27-56
0.440
MAR-TRE-a9136c7b-98
0.438
MAR-TRE-799db12b-32
0.438
MAR-TRE-92684b97-77
0.437
MAR-TRE-92684b97-68
0.436
MAR-TRE-92684b97-92
0.436
MAR-TRE-a9136c7b-46
0.434
MAR-TRE-a9136c7b-55
0.432
MAR-TRE-66ac689e-23
0.429
MAR-TRE-66ac689e-87
0.429
MAR-TRE-9d18ae8c-85
0.423
MAR-TRE-4f781e27-4
0.421
MAR-TRE-799db12b-79
0.419
MAR-TRE-9d18ae8c-99
0.413
MAR-TRE-92684b97-93
0.412
MAR-TRE-799db12b-84
0.411
MAR-TRE-8190bb11-70
0.410
MAR-TRE-be9ff7d2-64
0.408
MAR-TRE-85681e92-91
0.406
MAR-TRE-4f781e27-20
0.405
MAR-TRE-8190bb11-93
0.405
MAR-TRE-799db12b-41
0.403
MAR-TRE-9d18ae8c-87
0.403
MAR-TRE-66ac689e-92
0.403
MAR-TRE-8190bb11-6
0.403
MAR-TRE-92684b97-85
0.400
MAR-TRE-9d18ae8c-60
0.397
MAR-TRE-be9ff7d2-3
0.397
MAR-TRE-4f781e27-91
0.397
MAR-TRE-c317dd82-48
0.397
MAR-TRE-be9ff7d2-48
0.394
MAR-TRE-92684b97-87
0.394
MAR-TRE-a9136c7b-13
0.393
MAR-TRE-be9ff7d2-47
0.391
MAR-TRE-a9136c7b-70
0.390
MAR-TRE-799db12b-15
0.390
MAR-TRE-4f781e27-51
0.390
MAR-TRE-be9ff7d2-49
0.389
MAR-TRE-9d18ae8c-51
0.388
MAR-TRE-a9136c7b-58
0.388
MAR-TRE-799db12b-78
0.388
MAR-TRE-8190bb11-90
0.388
MAR-TRE-9d18ae8c-28
0.387
MAR-TRE-92684b97-12
0.386
MAR-TRE-92684b97-80
0.384
MAR-TRE-c317dd82-21
0.382
MAR-TRE-be9ff7d2-84
0.382
MAR-TRE-66ac689e-68
0.382
MAR-TRE-66ac689e-98
0.382
MAR-TRE-8190bb11-10
0.382
MAR-TRE-e82e6c98-30
0.380
MAR-TRE-8190bb11-5
0.380
MAR-TRE-4f781e27-70
0.380
MAR-TRE-92684b97-63
0.380
MAR-TRE-799db12b-87
0.380
MAR-TRE-8190bb11-54
0.378
MAR-TRE-8190bb11-72
0.378
MAR-TRE-4f781e27-24
0.378
MAR-TRE-e82e6c98-71
0.378
MAR-TRE-8190bb11-97
0.378