Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1ccc2c(c1)CC(C(=O)O)CO2)c1cncnc1 |
MW: | 363.05 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 135.55 |
cLogP: | 0.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-23
0.590
MAR-TRE-799db12b-53
0.545
MAR-TRE-9d18ae8c-100
0.494
MAR-TRE-8190bb11-32
0.481
MAR-TRE-a9136c7b-88
0.465
MAR-TRE-92684b97-94
0.464
MAR-TRE-4f781e27-62
0.462
MAR-TRE-4f781e27-87
0.462
MAR-TRE-92684b97-30
0.459
MAR-TRE-4f781e27-97
0.459
MAR-TRE-66ac689e-32
0.456
MAR-TRE-be9ff7d2-23
0.456
MAR-TRE-799db12b-1
0.456
MAR-TRE-66ac689e-13
0.450
MAR-TRE-8190bb11-37
0.450
MAR-TRE-92684b97-60
0.449
MAR-TRE-92684b97-59
0.443
MAR-TRE-8190bb11-1
0.438
MAR-TRE-8190bb11-60
0.438
MAR-TRE-799db12b-5
0.434
MAR-TRE-66ac689e-6
0.434
MAR-TRE-9d18ae8c-47
0.434
MAR-TRE-e82e6c98-63
0.429
MAR-TRE-66ac689e-16
0.427
MAR-TRE-66ac689e-4
0.425
MAR-TRE-a9136c7b-61
0.424
MAR-TRE-4f781e27-52
0.420
MAR-TRE-92684b97-9
0.420
MAR-TRE-4f781e27-46
0.418
MAR-TRE-a9136c7b-1
0.418
MAR-TRE-8190bb11-94
0.414
MAR-TRE-9d18ae8c-44
0.409
MAR-TRE-8190bb11-3
0.405
MAR-TRE-a9136c7b-99
0.404
MAR-TRE-2fd8122f-59
0.398
MAR-TRE-4f781e27-3
0.398
MAR-TRE-a9136c7b-79
0.396
MAR-TRE-66ac689e-65
0.393
MAR-TRE-799db12b-81
0.393
MAR-TRE-8190bb11-87
0.391
MAR-TRE-8190bb11-29
0.390
MAR-TRE-799db12b-22
0.386
MAR-TRE-a9136c7b-56
0.386
MAR-TRE-9d18ae8c-63
0.386
MAR-TRE-a9136c7b-3
0.381
MAR-TRE-9d18ae8c-82
0.380
MAR-TRE-92684b97-65
0.379
MAR-TRE-a9136c7b-39
0.378
MAR-TRE-a9136c7b-15
0.376
MAR-TRE-c317dd82-100
0.376
MAR-TRE-92684b97-40
0.373
MAR-TRE-c317dd82-1
0.372
MAR-TRE-4f781e27-90
0.372
MAR-TRE-be9ff7d2-45
0.372
MAR-TRE-4f781e27-15
0.372
MAR-TRE-9d18ae8c-5
0.370
MAR-TRE-9d18ae8c-77
0.370
MAR-TRE-4f781e27-17
0.369
MAR-TRE-92684b97-13
0.365
MAR-TRE-799db12b-88
0.364
MAR-TRE-be9ff7d2-4
0.363
MAR-TRE-799db12b-6
0.362
MAR-TRE-92684b97-34
0.360
MAR-TRE-be9ff7d2-58
0.357
MAR-TRE-8190bb11-57
0.357
MAR-TRE-4f781e27-50
0.357
MAR-TRE-a9136c7b-40
0.357
MAR-TRE-8190bb11-45
0.356
MAR-TRE-e82e6c98-90
0.356
MAR-TRE-e82e6c98-89
0.353
MAR-TRE-a9136c7b-92
0.353
MAR-TRE-8190bb11-53
0.353
MAR-TRE-4f781e27-42
0.353
MAR-TRE-92684b97-48
0.353
MAR-TRE-c317dd82-36
0.352
MAR-TRE-c317dd82-43
0.349
MAR-TRE-92684b97-21
0.349
MAR-TRE-8190bb11-78
0.349
MAR-TRE-a9136c7b-25
0.348
MAR-TRE-8190bb11-21
0.348
MAR-TRE-a9136c7b-75
0.345
MAR-TRE-4f781e27-72
0.345
MAR-TRE-4f781e27-95
0.345
MAR-TRE-be9ff7d2-63
0.345
MAR-TRE-8190bb11-84
0.345
MAR-TRE-a9136c7b-41
0.344
MAR-TRE-9d18ae8c-70
0.344
MAR-TRE-9d18ae8c-75
0.344
MAR-TRE-9d18ae8c-56
0.344
MAR-TRE-a9136c7b-20
0.341
MAR-TRE-8190bb11-77
0.341
MAR-TRE-8190bb11-12
0.341
MAR-TRE-be9ff7d2-27
0.341
MAR-TRE-4f781e27-66
0.341
MAR-TRE-a9136c7b-43
0.337
MAR-TRE-c317dd82-73
0.337
MAR-TRE-e82e6c98-45
0.337
MAR-TRE-66ac689e-63
0.337
MAR-TRE-4f781e27-63
0.337
MAR-TRE-a9136c7b-68
0.337