Molecular Properties | |
SMILES: | O=C(O)CC(NC(=O)c1cncnc1)c1cccc(O)c1 |
MW: | 287.09 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 112.41 |
cLogP: | 1.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-86
0.705
MAR-TRE-66ac689e-97
0.672
MAR-TRE-8190bb11-71
0.597
MAR-TRE-e82e6c98-70
0.590
MAR-TRE-9d18ae8c-59
0.581
MAR-TRE-a9136c7b-49
0.574
MAR-TRE-92684b97-56
0.571
MAR-TRE-9d18ae8c-21
0.554
MAR-TRE-66ac689e-18
0.545
MAR-TRE-a9136c7b-71
0.542
MAR-TRE-66ac689e-84
0.536
MAR-TRE-4f781e27-71
0.535
MAR-TRE-8190bb11-11
0.530
MAR-TRE-66ac689e-92
0.521
MAR-TRE-9d18ae8c-97
0.507
MAR-TRE-66ac689e-68
0.500
MAR-TRE-92684b97-85
0.500
MAR-TRE-e82e6c98-46
0.467
MAR-TRE-c317dd82-94
0.465
MAR-TRE-e82e6c98-13
0.458
MAR-TRE-92684b97-2
0.455
MAR-TRE-a9136c7b-55
0.452
MAR-TRE-92684b97-71
0.451
MAR-TRE-66ac689e-95
0.451
MAR-TRE-799db12b-48
0.447
MAR-TRE-c317dd82-41
0.446
MAR-TRE-9d18ae8c-40
0.444
MAR-TRE-799db12b-46
0.444
MAR-TRE-66ac689e-80
0.444
MAR-TRE-9d18ae8c-24
0.443
MAR-TRE-9d18ae8c-19
0.443
MAR-TRE-8190bb11-90
0.442
MAR-TRE-4f781e27-4
0.440
MAR-TRE-92684b97-17
0.429
MAR-TRE-8190bb11-48
0.429
MAR-TRE-8190bb11-59
0.429
MAR-TRE-92684b97-35
0.429
MAR-TRE-66ac689e-87
0.429
MAR-TRE-8190bb11-28
0.429
MAR-TRE-66ac689e-93
0.425
MAR-TRE-8190bb11-6
0.421
MAR-TRE-4f781e27-56
0.421
MAR-TRE-66ac689e-62
0.420
MAR-TRE-92684b97-77
0.417
MAR-TRE-4f781e27-91
0.417
MAR-TRE-a9136c7b-59
0.416
MAR-TRE-be9ff7d2-48
0.414
MAR-TRE-4f781e27-44
0.413
MAR-TRE-799db12b-50
0.413
MAR-TRE-9d18ae8c-67
0.411
MAR-TRE-9d18ae8c-50
0.410
MAR-TRE-66ac689e-57
0.408
MAR-TRE-4f781e27-73
0.408
MAR-TRE-66ac689e-49
0.408
MAR-TRE-92684b97-47
0.408
MAR-TRE-799db12b-15
0.408
MAR-TRE-8190bb11-93
0.405
MAR-TRE-8190bb11-47
0.403
MAR-TRE-9d18ae8c-80
0.403
MAR-TRE-8190bb11-10
0.400
MAR-TRE-8190bb11-97
0.397
MAR-TRE-4f781e27-24
0.397
MAR-TRE-66ac689e-22
0.395
MAR-TRE-92684b97-18
0.392
MAR-TRE-8190bb11-70
0.392
MAR-TRE-799db12b-47
0.392
MAR-TRE-be9ff7d2-47
0.391
MAR-TRE-4f781e27-20
0.388
MAR-TRE-92684b97-16
0.388
MAR-TRE-9d18ae8c-22
0.388
MAR-TRE-66ac689e-28
0.387
MAR-TRE-4f781e27-14
0.387
MAR-TRE-66ac689e-79
0.387
MAR-TRE-a9136c7b-33
0.387
MAR-TRE-799db12b-94
0.387
MAR-TRE-66ac689e-72
0.387
MAR-TRE-799db12b-95
0.386
MAR-TRE-92684b97-12
0.386
MAR-TRE-a9136c7b-93
0.385
MAR-TRE-4f781e27-68
0.385
MAR-TRE-9d18ae8c-64
0.384
MAR-TRE-92684b97-68
0.383
MAR-TRE-9d18ae8c-1
0.383
MAR-TRE-4f781e27-45
0.382
MAR-TRE-66ac689e-81
0.382
MAR-TRE-8190bb11-56
0.382
MAR-TRE-a9136c7b-46
0.380
MAR-TRE-9d18ae8c-94
0.380
MAR-TRE-8190bb11-54
0.378
MAR-TRE-799db12b-73
0.377
MAR-TRE-66ac689e-27
0.377
MAR-TRE-9d18ae8c-37
0.377
MAR-TRE-92684b97-50
0.375
MAR-TRE-92684b97-66
0.375
MAR-TRE-92684b97-87
0.375
MAR-TRE-be9ff7d2-10
0.373
MAR-TRE-799db12b-80
0.372
MAR-TRE-4f781e27-51
0.372
MAR-TRE-a9136c7b-58
0.370
MAR-TRE-9d18ae8c-51
0.370