Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1csc(C2OCCO2)c1)c1cncnc1 |
MW: | 341.01 |
Fraction sp3: | 0.25 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 107.48 |
cLogP: | 0.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acetal
Hetero_hetero
MAR-TRE-799db12b-53
0.468
MAR-TRE-e82e6c98-63
0.444
MAR-TRE-4f781e27-97
0.439
MAR-TRE-a9136c7b-61
0.438
MAR-TRE-4f781e27-90
0.436
MAR-TRE-4f781e27-46
0.432
MAR-TRE-66ac689e-6
0.430
MAR-TRE-a9136c7b-88
0.429
MAR-TRE-be9ff7d2-23
0.416
MAR-TRE-a9136c7b-1
0.414
MAR-TRE-66ac689e-13
0.410
MAR-TRE-92684b97-94
0.410
MAR-TRE-92684b97-60
0.408
MAR-TRE-a9136c7b-39
0.408
MAR-TRE-c317dd82-100
0.405
MAR-TRE-92684b97-23
0.405
MAR-TRE-4f781e27-62
0.403
MAR-TRE-8190bb11-29
0.403
MAR-TRE-92684b97-59
0.403
MAR-TRE-8190bb11-32
0.403
MAR-TRE-4f781e27-87
0.403
MAR-TRE-799db12b-6
0.402
MAR-TRE-c317dd82-1
0.400
MAR-TRE-a9136c7b-99
0.400
MAR-TRE-be9ff7d2-45
0.400
MAR-TRE-9d18ae8c-100
0.400
MAR-TRE-a9136c7b-56
0.397
MAR-TRE-8190bb11-60
0.397
MAR-TRE-8190bb11-1
0.397
MAR-TRE-92684b97-9
0.397
MAR-TRE-9d18ae8c-63
0.397
MAR-TRE-66ac689e-32
0.397
MAR-TRE-9d18ae8c-5
0.395
MAR-TRE-799db12b-5
0.395
MAR-TRE-a9136c7b-3
0.392
MAR-TRE-8190bb11-37
0.392
MAR-TRE-a9136c7b-79
0.391
MAR-TRE-799db12b-1
0.389
MAR-TRE-92684b97-30
0.388
MAR-TRE-66ac689e-4
0.388
MAR-TRE-9d18ae8c-44
0.388
MAR-TRE-799db12b-81
0.388
MAR-TRE-a9136c7b-15
0.388
MAR-TRE-66ac689e-16
0.388
MAR-TRE-4f781e27-10
0.386
MAR-TRE-4f781e27-52
0.384
MAR-TRE-8190bb11-3
0.383
MAR-TRE-4f781e27-15
0.383
MAR-TRE-e82e6c98-90
0.381
MAR-TRE-c317dd82-73
0.380
MAR-TRE-e82e6c98-89
0.380
MAR-TRE-9d18ae8c-47
0.378
MAR-TRE-c317dd82-36
0.378
MAR-TRE-8190bb11-94
0.376
MAR-TRE-799db12b-88
0.373
MAR-TRE-92684b97-65
0.373
MAR-TRE-799db12b-83
0.372
MAR-TRE-a9136c7b-75
0.372
MAR-TRE-be9ff7d2-63
0.372
MAR-TRE-4f781e27-72
0.372
MAR-TRE-8190bb11-44
0.372
MAR-TRE-8190bb11-87
0.369
MAR-TRE-4f781e27-50
0.367
MAR-TRE-799db12b-7
0.365
MAR-TRE-4f781e27-42
0.362
MAR-TRE-e82e6c98-45
0.362
MAR-TRE-a9136c7b-92
0.362
MAR-TRE-a9136c7b-68
0.360
MAR-TRE-4f781e27-3
0.360
MAR-TRE-c317dd82-79
0.360
MAR-TRE-9d18ae8c-82
0.360
MAR-TRE-4f781e27-41
0.359
MAR-TRE-8190bb11-55
0.358
MAR-TRE-92684b97-13
0.358
MAR-TRE-be9ff7d2-13
0.358
MAR-TRE-be9ff7d2-4
0.356
MAR-TRE-8190bb11-21
0.356
MAR-TRE-66ac689e-65
0.356
MAR-TRE-be9ff7d2-31
0.354
MAR-TRE-4f781e27-95
0.354
MAR-TRE-92684b97-34
0.354
MAR-TRE-92684b97-69
0.354
MAR-TRE-66ac689e-78
0.353
MAR-TRE-8190bb11-66
0.352
MAR-TRE-8190bb11-57
0.350
MAR-TRE-be9ff7d2-58
0.350
MAR-TRE-a9136c7b-40
0.350
MAR-TRE-92684b97-40
0.350
MAR-TRE-799db12b-38
0.349
MAR-TRE-8190bb11-45
0.349
MAR-TRE-4f781e27-54
0.349
MAR-TRE-9d18ae8c-77
0.348
MAR-TRE-4f781e27-17
0.346
MAR-TRE-92684b97-48
0.346
MAR-TRE-8190bb11-53
0.346
MAR-TRE-a9136c7b-43
0.346
MAR-TRE-66ac689e-63
0.345
MAR-TRE-4f781e27-89
0.345
MAR-TRE-c317dd82-43
0.342
MAR-TRE-be9ff7d2-88
0.342