Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(C(CO)NC(=O)c2cncnc2)cc1 |
MW: | 321.08 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 109.25 |
cLogP: | 0.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-57
0.650
MAR-TRE-8190bb11-5
0.644
MAR-TRE-9d18ae8c-21
0.493
MAR-TRE-66ac689e-62
0.492
MAR-TRE-9d18ae8c-59
0.492
MAR-TRE-92684b97-56
0.485
MAR-TRE-799db12b-47
0.478
MAR-TRE-66ac689e-49
0.478
MAR-TRE-4f781e27-73
0.478
MAR-TRE-8190bb11-24
0.477
MAR-TRE-799db12b-94
0.471
MAR-TRE-9d18ae8c-40
0.471
MAR-TRE-66ac689e-3
0.464
MAR-TRE-66ac689e-18
0.464
MAR-TRE-66ac689e-95
0.457
MAR-TRE-92684b97-71
0.457
MAR-TRE-e82e6c98-70
0.455
MAR-TRE-799db12b-46
0.451
MAR-TRE-66ac689e-79
0.451
MAR-TRE-66ac689e-80
0.451
MAR-TRE-8190bb11-11
0.449
MAR-TRE-92684b97-85
0.444
MAR-TRE-8190bb11-72
0.443
MAR-TRE-9d18ae8c-1
0.442
MAR-TRE-799db12b-50
0.438
MAR-TRE-66ac689e-14
0.435
MAR-TRE-9d18ae8c-4
0.434
MAR-TRE-799db12b-80
0.432
MAR-TRE-92684b97-86
0.431
MAR-TRE-8190bb11-6
0.427
MAR-TRE-a9136c7b-59
0.421
MAR-TRE-be9ff7d2-48
0.420
MAR-TRE-92684b97-1
0.418
MAR-TRE-a9136c7b-49
0.413
MAR-TRE-799db12b-15
0.413
MAR-TRE-9d18ae8c-24
0.412
MAR-TRE-c317dd82-94
0.411
MAR-TRE-9d18ae8c-97
0.411
MAR-TRE-a9136c7b-71
0.410
MAR-TRE-8190bb11-93
0.410
MAR-TRE-a9136c7b-69
0.410
MAR-TRE-4f781e27-4
0.408
MAR-TRE-9d18ae8c-3
0.407
MAR-TRE-e82e6c98-13
0.405
MAR-TRE-66ac689e-68
0.405
MAR-TRE-4f781e27-91
0.403
MAR-TRE-66ac689e-41
0.403
MAR-TRE-a9136c7b-55
0.400
MAR-TRE-92684b97-87
0.400
MAR-TRE-92684b97-13
0.397
MAR-TRE-66ac689e-97
0.395
MAR-TRE-9d18ae8c-51
0.392
MAR-TRE-a9136c7b-33
0.392
MAR-TRE-66ac689e-5
0.390
MAR-TRE-66ac689e-92
0.390
MAR-TRE-9d18ae8c-87
0.389
MAR-TRE-92684b97-2
0.388
MAR-TRE-a9136c7b-46
0.385
MAR-TRE-a9136c7b-62
0.385
MAR-TRE-4f781e27-71
0.385
MAR-TRE-799db12b-73
0.382
MAR-TRE-66ac689e-22
0.382
MAR-TRE-66ac689e-27
0.382
MAR-TRE-e82e6c98-46
0.380
MAR-TRE-9d18ae8c-19
0.378
MAR-TRE-be9ff7d2-47
0.377
MAR-TRE-e82e6c98-74
0.375
MAR-TRE-a9136c7b-58
0.375
MAR-TRE-8190bb11-90
0.375
MAR-TRE-92684b97-80
0.370
MAR-TRE-9d18ae8c-85
0.370
MAR-TRE-66ac689e-100
0.368
MAR-TRE-be9ff7d2-56
0.368
MAR-TRE-9d18ae8c-94
0.367
MAR-TRE-e82e6c98-30
0.366
MAR-TRE-66ac689e-58
0.366
MAR-TRE-4f781e27-70
0.366
MAR-TRE-92684b97-63
0.366
MAR-TRE-8190bb11-50
0.365
MAR-TRE-8190bb11-97
0.365
MAR-TRE-799db12b-100
0.364
MAR-TRE-66ac689e-71
0.364
MAR-TRE-4f781e27-44
0.364
WIL-UNI-1faa9b10-42
0.364
MAR-TRE-66ac689e-87
0.362
MAR-TRE-a9136c7b-74
0.362
MAR-TRE-8190bb11-67
0.362
MAR-TRE-c317dd82-48
0.362
MAR-UCB-195bc32d-27
0.362
MAR-UCB-195bc32d-25
0.362
MAR-TRE-8190bb11-13
0.361
MAR-TRE-66ac689e-13
0.360
MAR-TRE-66ac689e-15
0.360
MAR-TRE-66ac689e-82
0.359
MAR-TRE-4f781e27-39
0.356
MAR-TRE-8190bb11-59
0.356
MAR-TRE-92684b97-35
0.356
MAR-TRE-8190bb11-48
0.356
MAR-TRE-66ac689e-16
0.355
MAR-TRE-799db12b-55
0.355