Molecular Properties | |
SMILES: | Cn1nccc1C(NC(=O)c1cncnc1)C(=O)O |
MW: | 261.09 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 110.0 |
cLogP: | -0.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-97
0.661
MAR-TRE-be9ff7d2-47
0.643
MAR-TRE-a9136c7b-93
0.529
MAR-TRE-8190bb11-91
0.500
MAR-TRE-92684b97-50
0.484
MAR-TRE-92684b97-27
0.484
MAR-TRE-799db12b-95
0.476
MAR-TRE-c317dd82-41
0.475
MAR-TRE-92684b97-80
0.470
MAR-TRE-9d18ae8c-64
0.470
MAR-TRE-8190bb11-71
0.462
MAR-TRE-be9ff7d2-86
0.457
MAR-TRE-8190bb11-28
0.455
MAR-TRE-8190bb11-59
0.455
MAR-TRE-92684b97-17
0.455
MAR-TRE-92684b97-35
0.455
MAR-TRE-9d18ae8c-28
0.449
MAR-TRE-66ac689e-93
0.449
MAR-TRE-a9136c7b-66
0.448
MAR-TRE-799db12b-79
0.443
MAR-TRE-8190bb11-10
0.443
MAR-TRE-799db12b-23
0.441
MAR-TRE-799db12b-61
0.441
MAR-TRE-8190bb11-54
0.441
MAR-TRE-799db12b-96
0.441
MAR-TRE-66ac689e-61
0.438
MAR-TRE-9d18ae8c-8
0.437
MAR-TRE-e82e6c98-100
0.435
MAR-TRE-a9136c7b-36
0.435
MAR-TRE-8190bb11-25
0.431
MAR-TRE-9d18ae8c-88
0.420
MAR-TRE-92684b97-56
0.418
MAR-TRE-4f781e27-86
0.414
MAR-TRE-4f781e27-40
0.414
MAR-TRE-4f781e27-39
0.412
MAR-TRE-e82e6c98-70
0.409
MAR-TRE-9d18ae8c-97
0.408
MAR-TRE-8190bb11-93
0.408
MAR-TRE-8190bb11-11
0.406
MAR-TRE-9d18ae8c-85
0.406
MAR-TRE-9d18ae8c-59
0.403
MAR-TRE-4f781e27-24
0.400
MAR-TRE-8190bb11-14
0.400
MAR-TRE-8190bb11-26
0.400
MAR-TRE-92684b97-5
0.395
MAR-TRE-a9136c7b-70
0.392
MAR-TRE-e82e6c98-72
0.391
MAR-TRE-8190bb11-48
0.391
MAR-TRE-92684b97-86
0.389
MAR-TRE-799db12b-55
0.389
MAR-TRE-4f781e27-14
0.389
MAR-TRE-e82e6c98-31
0.387
MAR-TRE-a9136c7b-77
0.387
MAR-TRE-92684b97-51
0.386
MAR-TRE-92684b97-41
0.386
MAR-TRE-9d18ae8c-21
0.386
MAR-TRE-92684b97-98
0.385
MAR-TRE-66ac689e-81
0.384
MAR-TRE-4f781e27-45
0.384
MAR-TRE-a9136c7b-91
0.384
MAR-TRE-66ac689e-58
0.382
MAR-TRE-c317dd82-64
0.382
MAR-TRE-9d18ae8c-60
0.382
MAR-TRE-66ac689e-18
0.380
MAR-TRE-be9ff7d2-93
0.378
MAR-TRE-66ac689e-48
0.378
MAR-TRE-66ac689e-71
0.378
MAR-TRE-66ac689e-85
0.378
MAR-TRE-66ac689e-84
0.378
MAR-TRE-c317dd82-96
0.377
MAR-TRE-9d18ae8c-17
0.377
MAR-TRE-9d18ae8c-67
0.375
MAR-TRE-92684b97-71
0.375
MAR-TRE-66ac689e-60
0.375
MAR-TRE-8190bb11-98
0.375
MAR-TRE-4f781e27-51
0.373
MAR-TRE-9d18ae8c-41
0.373
MAR-TRE-a9136c7b-35
0.372
MAR-TRE-66ac689e-57
0.371
MAR-TRE-66ac689e-72
0.370
MAR-TRE-c317dd82-42
0.368
MAR-TRE-a9136c7b-67
0.368
MAR-TRE-66ac689e-56
0.368
MAR-TRE-8190bb11-6
0.368
MAR-TRE-8190bb11-89
0.368
MAR-TRE-4f781e27-56
0.368
MAR-TRE-8190bb11-47
0.366
MAR-TRE-be9ff7d2-84
0.365
MAR-TRE-66ac689e-100
0.365
MAR-TRE-8190bb11-56
0.365
MAR-TRE-92684b97-85
0.365
MAR-TRE-c317dd82-21
0.364
MAR-TRE-66ac689e-45
0.364
MAR-TRE-c317dd82-60
0.362
MAR-TRE-799db12b-8
0.362
MAR-TRE-66ac689e-52
0.362
MAR-TRE-66ac689e-62
0.362
MAR-TRE-8190bb11-5
0.362
MAR-TRE-66ac689e-41
0.361
MAR-TRE-4f781e27-91
0.361