Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cnc2ccccc2n1)c1cncnc1 |
MW: | 315.04 |
Fraction sp3: | 0.0 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 114.8 |
cLogP: | 0.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-24
0.559
MAR-TRE-92684b97-65
0.535
MAR-TRE-92684b97-21
0.464
MAR-TRE-be9ff7d2-58
0.451
MAR-TRE-c317dd82-28
0.438
MAR-TRE-8190bb11-63
0.429
MAR-TRE-92684b97-90
0.416
MAR-TRE-a9136c7b-87
0.416
MAR-TRE-a9136c7b-43
0.405
MAR-TRE-92684b97-58
0.403
MAR-TRE-66ac689e-44
0.397
MAR-TRE-8190bb11-44
0.397
MAR-TRE-8190bb11-21
0.395
MAR-TRE-a9136c7b-84
0.395
MAR-TRE-9d18ae8c-25
0.395
MAR-TRE-a9136c7b-41
0.392
MAR-TRE-9d18ae8c-70
0.392
MAR-TRE-4f781e27-54
0.390
MAR-TRE-4f781e27-90
0.390
MAR-TRE-e82e6c98-98
0.388
MAR-TRE-be9ff7d2-23
0.387
MAR-TRE-92684b97-9
0.387
MAR-TRE-66ac689e-50
0.385
MAR-TRE-a9136c7b-68
0.383
MAR-TRE-799db12b-88
0.380
MAR-TRE-4f781e27-95
0.378
MAR-TRE-92684b97-60
0.378
MAR-TRE-be9ff7d2-31
0.378
MAR-TRE-4f781e27-72
0.378
MAR-TRE-66ac689e-4
0.378
MAR-TRE-4f781e27-61
0.378
MAR-TRE-c317dd82-100
0.377
MAR-TRE-799db12b-10
0.377
MAR-TRE-8190bb11-15
0.377
MAR-TRE-e82e6c98-63
0.375
MAR-TRE-799db12b-30
0.373
MAR-TRE-a9136c7b-20
0.373
MAR-TRE-8190bb11-57
0.373
MAR-TRE-4f781e27-62
0.373
MAR-TRE-4f781e27-87
0.373
MAR-TRE-92684b97-40
0.373
MAR-TRE-92684b97-59
0.373
MAR-TRE-8190bb11-32
0.373
MAR-TRE-9d18ae8c-73
0.373
MAR-TRE-9d18ae8c-100
0.372
MAR-TRE-8190bb11-3
0.372
MAR-TRE-92684b97-42
0.370
MAR-TRE-799db12b-42
0.369
MAR-TRE-9d18ae8c-5
0.369
MAR-TRE-4f781e27-17
0.368
MAR-TRE-8190bb11-60
0.368
MAR-TRE-4f781e27-42
0.368
MAR-TRE-a9136c7b-56
0.368
MAR-TRE-66ac689e-32
0.368
MAR-TRE-8190bb11-53
0.368
MAR-TRE-92684b97-48
0.368
MAR-TRE-8190bb11-1
0.368
MAR-TRE-e82e6c98-89
0.368
MAR-TRE-c317dd82-36
0.367
MAR-TRE-4f781e27-63
0.367
MAR-TRE-9d18ae8c-47
0.367
MAR-TRE-8190bb11-94
0.366
MAR-TRE-4f781e27-46
0.365
MAR-TRE-c317dd82-43
0.365
MAR-TRE-66ac689e-13
0.364
MAR-TRE-be9ff7d2-13
0.364
MAR-TRE-a9136c7b-3
0.364
MAR-TRE-8190bb11-37
0.364
MAR-TRE-8190bb11-55
0.364
MAR-TRE-8190bb11-78
0.364
MAR-TRE-92684b97-13
0.364
MAR-TRE-a9136c7b-60
0.362
MAR-TRE-799db12b-81
0.361
MAR-TRE-a9136c7b-75
0.360
MAR-TRE-be9ff7d2-63
0.360
MAR-TRE-a9136c7b-39
0.360
MAR-TRE-66ac689e-16
0.359
MAR-TRE-8190bb11-84
0.359
MAR-TRE-92684b97-34
0.359
MAR-TRE-92684b97-69
0.359
MAR-TRE-66ac689e-78
0.358
MAR-TRE-a9136c7b-61
0.358
MAR-TRE-8190bb11-87
0.358
MAR-TRE-4f781e27-30
0.358
MAR-TRE-92684b97-98
0.357
MAR-TRE-8190bb11-66
0.357
MAR-TRE-a9136c7b-40
0.355
MAR-TRE-8190bb11-29
0.355
MAR-TRE-4f781e27-50
0.355
MAR-TRE-be9ff7d2-45
0.354
MAR-TRE-799db12b-38
0.354
MAR-TRE-8190bb11-12
0.354
MAR-TRE-8190bb11-77
0.354
MAR-TRE-be9ff7d2-27
0.354
MAR-TRE-9d18ae8c-77
0.353
MAR-TRE-e82e6c98-45
0.351
MAR-TRE-a9136c7b-92
0.351
MAR-TRE-9d18ae8c-63
0.351
MAR-TRE-799db12b-5
0.350
MAR-TRE-e82e6c98-58
0.350