Molecular Properties | |
SMILES: | COc1cccc(C(NC(=O)c2cncnc2)C(=O)O)c1 |
MW: | 287.09 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 101.41 |
cLogP: | 1.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-77
0.677
MAR-TRE-8190bb11-10
0.646
MAR-TRE-8190bb11-71
0.629
MAR-TRE-66ac689e-97
0.627
MAR-TRE-8190bb11-59
0.619
MAR-TRE-92684b97-17
0.619
MAR-TRE-8190bb11-28
0.619
MAR-TRE-92684b97-35
0.619
MAR-TRE-799db12b-79
0.597
MAR-TRE-4f781e27-20
0.592
MAR-TRE-66ac689e-98
0.574
MAR-TRE-92684b97-80
0.561
MAR-TRE-799db12b-19
0.560
MAR-TRE-92684b97-12
0.560
MAR-TRE-799db12b-96
0.552
MAR-TRE-92684b97-29
0.549
MAR-TRE-9d18ae8c-19
0.547
MAR-TRE-4f781e27-14
0.536
MAR-TRE-9d18ae8c-28
0.536
MAR-TRE-4f781e27-45
0.529
MAR-TRE-4f781e27-56
0.528
MAR-TRE-c317dd82-41
0.524
MAR-TRE-799db12b-87
0.521
MAR-TRE-799db12b-61
0.507
MAR-TRE-8190bb11-54
0.507
MAR-TRE-a9136c7b-78
0.507
MAR-TRE-9d18ae8c-24
0.506
MAR-TRE-66ac689e-84
0.500
MAR-TRE-a9136c7b-5
0.481
MAR-TRE-be9ff7d2-86
0.479
MAR-TRE-799db12b-95
0.478
MAR-TRE-8190bb11-91
0.478
MAR-TRE-92684b97-32
0.474
MAR-TRE-8190bb11-70
0.474
MAR-TRE-a9136c7b-70
0.473
MAR-TRE-9d18ae8c-64
0.471
MAR-TRE-92684b97-50
0.464
MAR-TRE-9d18ae8c-60
0.461
MAR-TRE-9d18ae8c-99
0.459
MAR-TRE-92684b97-1
0.456
MAR-TRE-9d18ae8c-86
0.456
MAR-TRE-799db12b-55
0.452
MAR-TRE-e82e6c98-30
0.449
MAR-TRE-799db12b-23
0.444
MAR-TRE-66ac689e-18
0.444
MAR-TRE-92684b97-27
0.443
MAR-TRE-66ac689e-71
0.440
MAR-TRE-4f781e27-86
0.438
MAR-TRE-66ac689e-57
0.437
MAR-TRE-8190bb11-67
0.436
MAR-TRE-a9136c7b-49
0.434
MAR-TRE-92684b97-14
0.434
MAR-TRE-92684b97-86
0.432
MAR-TRE-4f781e27-9
0.432
MAR-TRE-a9136c7b-66
0.431
MAR-TRE-9d18ae8c-85
0.431
MAR-TRE-799db12b-90
0.430
MAR-TRE-799db12b-78
0.430
MAR-TRE-799db12b-31
0.429
MAR-TRE-4f781e27-35
0.429
MAR-TRE-a9136c7b-98
0.427
MAR-TRE-799db12b-32
0.427
MAR-TRE-92684b97-92
0.425
MAR-TRE-66ac689e-41
0.425
MAR-TRE-4f781e27-71
0.423
MAR-TRE-8190bb11-58
0.421
MAR-TRE-799db12b-50
0.421
MAR-TRE-9d18ae8c-8
0.421
MAR-TRE-4f781e27-40
0.419
MAR-TRE-799db12b-47
0.419
MAR-TRE-799db12b-28
0.418
MAR-TRE-8190bb11-48
0.417
MAR-TRE-be9ff7d2-64
0.416
MAR-TRE-4f781e27-37
0.416
MAR-TRE-66ac689e-72
0.413
MAR-TRE-799db12b-94
0.413
MAR-TRE-799db12b-46
0.413
MAR-TRE-9d18ae8c-13
0.412
MAR-TRE-9d18ae8c-80
0.410
MAR-TRE-a9136c7b-91
0.408
MAR-TRE-66ac689e-68
0.408
MAR-TRE-92684b97-85
0.408
MAR-TRE-9d18ae8c-88
0.405
MAR-TRE-be9ff7d2-3
0.405
MAR-TRE-8190bb11-14
0.405
MAR-TRE-8190bb11-26
0.405
MAR-TRE-66ac689e-27
0.403
MAR-TRE-9d18ae8c-37
0.403
MAR-TRE-a9136c7b-36
0.400
MAR-TRE-66ac689e-87
0.400
MAR-TRE-9d18ae8c-17
0.400
MAR-TRE-9d18ae8c-67
0.400
MAR-TRE-4f781e27-51
0.397
MAR-TRE-799db12b-80
0.397
MAR-TRE-8190bb11-25
0.397
MAR-TRE-be9ff7d2-49
0.397
MAR-TRE-a9136c7b-69
0.395
MAR-TRE-66ac689e-92
0.392
MAR-TRE-a9136c7b-93
0.392
MAR-TRE-4f781e27-68
0.392