Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1nc(C(=O)O)n2ccccc12)c1cncnc1 |
MW: | 347.03 |
Fraction sp3: | 0.0 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 143.62 |
cLogP: | -0.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-a9136c7b-87
0.507
MAR-TRE-a9136c7b-68
0.468
MAR-TRE-c317dd82-43
0.438
MAR-TRE-92684b97-21
0.438
MAR-TRE-a9136c7b-43
0.421
MAR-TRE-92684b97-24
0.410
MAR-TRE-a9136c7b-84
0.410
MAR-TRE-92684b97-40
0.408
MAR-TRE-4f781e27-42
0.403
MAR-TRE-4f781e27-17
0.403
MAR-TRE-8190bb11-37
0.397
MAR-TRE-4f781e27-95
0.395
MAR-TRE-a9136c7b-25
0.393
MAR-TRE-8190bb11-21
0.393
MAR-TRE-9d18ae8c-25
0.392
MAR-TRE-66ac689e-39
0.392
MAR-TRE-e82e6c98-63
0.392
MAR-TRE-8190bb11-57
0.390
MAR-TRE-be9ff7d2-58
0.390
MAR-TRE-a9136c7b-20
0.390
MAR-TRE-8190bb11-32
0.390
MAR-TRE-4f781e27-87
0.390
MAR-TRE-4f781e27-54
0.388
MAR-TRE-e82e6c98-90
0.386
MAR-TRE-66ac689e-32
0.385
MAR-TRE-92684b97-48
0.385
MAR-TRE-9d18ae8c-63
0.385
MAR-TRE-be9ff7d2-23
0.385
MAR-TRE-8190bb11-53
0.385
MAR-TRE-9d18ae8c-5
0.384
MAR-TRE-92684b97-58
0.383
MAR-TRE-4f781e27-46
0.382
MAR-TRE-be9ff7d2-13
0.380
MAR-TRE-92684b97-65
0.378
MAR-TRE-66ac689e-43
0.378
MAR-TRE-be9ff7d2-63
0.377
MAR-TRE-a9136c7b-75
0.377
MAR-TRE-4f781e27-72
0.377
MAR-TRE-799db12b-81
0.376
MAR-TRE-92684b97-34
0.375
MAR-TRE-9d18ae8c-56
0.373
MAR-TRE-9d18ae8c-70
0.373
MAR-TRE-9d18ae8c-75
0.373
MAR-TRE-a9136c7b-61
0.373
MAR-TRE-8190bb11-63
0.373
MAR-TRE-a9136c7b-40
0.372
MAR-TRE-8190bb11-29
0.372
MAR-TRE-4f781e27-50
0.372
MAR-TRE-92684b97-9
0.367
MAR-TRE-a9136c7b-56
0.367
MAR-TRE-e82e6c98-45
0.367
MAR-TRE-66ac689e-6
0.366
MAR-TRE-9d18ae8c-47
0.366
MAR-TRE-799db12b-5
0.366
MAR-TRE-c317dd82-36
0.366
MAR-TRE-66ac689e-50
0.366
MAR-TRE-8190bb11-55
0.362
MAR-TRE-a9136c7b-3
0.362
MAR-TRE-92684b97-90
0.361
MAR-TRE-92684b97-60
0.359
MAR-TRE-be9ff7d2-31
0.359
MAR-TRE-8190bb11-44
0.359
MAR-TRE-a9136c7b-15
0.358
MAR-TRE-8190bb11-15
0.358
MAR-TRE-8190bb11-87
0.357
MAR-TRE-66ac689e-78
0.357
MAR-TRE-799db12b-30
0.356
MAR-TRE-a9136c7b-1
0.356
MAR-TRE-92684b97-59
0.354
MAR-TRE-9d18ae8c-73
0.354
MAR-TRE-4f781e27-62
0.354
MAR-TRE-8190bb11-3
0.354
MAR-TRE-8190bb11-45
0.354
MAR-TRE-4f781e27-90
0.354
MAR-TRE-8190bb11-12
0.354
MAR-TRE-c317dd82-1
0.354
MAR-TRE-be9ff7d2-45
0.354
MAR-TRE-799db12b-38
0.354
MAR-TRE-8190bb11-77
0.354
MAR-TRE-4f781e27-15
0.354
MAR-TRE-8190bb11-38
0.353
MAR-TRE-92684b97-42
0.353
MAR-TRE-799db12b-42
0.352
MAR-TRE-e82e6c98-89
0.350
MAR-TRE-8190bb11-1
0.350
MAR-TRE-8190bb11-60
0.350
MAR-TRE-4f781e27-63
0.349
MAR-TRE-4f781e27-89
0.349
MAR-TRE-8190bb11-94
0.349
MAR-TRE-8190bb11-78
0.346
MAR-TRE-92684b97-13
0.346
MAR-TRE-c317dd82-28
0.346
MAR-TRE-66ac689e-13
0.346
MAR-TRE-799db12b-88
0.345
MAR-TRE-66ac689e-44
0.345
MAR-TRE-4f781e27-61
0.345
MAR-TRE-66ac689e-65
0.345
MAR-TRE-4f781e27-10
0.344
MAR-TRE-799db12b-6
0.344
MAR-TRE-a9136c7b-39
0.342