Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cnc2n1CCNC2)c1cncnc1 |
MW: | 308.07 |
Fraction sp3: | 0.27 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 118.87 |
cLogP: | -1.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-be9ff7d2-27
0.468
MAR-TRE-a9136c7b-87
0.407
MAR-TRE-4f781e27-63
0.395
MAR-TRE-be9ff7d2-31
0.390
MAR-TRE-66ac689e-39
0.388
MAR-TRE-66ac689e-78
0.386
MAR-TRE-a9136c7b-20
0.385
MAR-TRE-92684b97-65
0.373
MAR-TRE-4f781e27-72
0.372
MAR-TRE-c317dd82-100
0.370
MAR-TRE-c317dd82-17
0.368
MAR-TRE-e82e6c98-63
0.368
MAR-TRE-8190bb11-29
0.367
MAR-TRE-4f781e27-50
0.367
MAR-TRE-be9ff7d2-58
0.367
MAR-TRE-4f781e27-90
0.366
MAR-TRE-e82e6c98-90
0.365
MAR-TRE-be9ff7d2-23
0.362
MAR-TRE-a9136c7b-56
0.362
MAR-TRE-4f781e27-17
0.362
MAR-TRE-66ac689e-32
0.362
MAR-TRE-c317dd82-36
0.361
MAR-TRE-4f781e27-46
0.359
MAR-TRE-c317dd82-43
0.359
MAR-TRE-c317dd82-28
0.358
MAR-TRE-be9ff7d2-13
0.358
MAR-TRE-a9136c7b-60
0.357
MAR-TRE-799db12b-88
0.357
MAR-TRE-66ac689e-43
0.357
MAR-TRE-92684b97-90
0.357
MAR-TRE-8190bb11-21
0.356
MAR-TRE-4f781e27-95
0.354
MAR-TRE-a9136c7b-39
0.354
MAR-TRE-a9136c7b-75
0.354
MAR-TRE-92684b97-60
0.354
MAR-TRE-be9ff7d2-63
0.354
MAR-TRE-a9136c7b-15
0.354
MAR-TRE-92684b97-69
0.354
MAR-TRE-c317dd82-98
0.351
MAR-TRE-4f781e27-87
0.350
MAR-TRE-92684b97-40
0.350
MAR-TRE-8190bb11-32
0.350
MAR-TRE-8190bb11-57
0.350
MAR-TRE-a9136c7b-40
0.350
MAR-TRE-8190bb11-12
0.349
MAR-TRE-8190bb11-45
0.349
MAR-TRE-be9ff7d2-45
0.349
MAR-TRE-92684b97-48
0.346
MAR-TRE-e82e6c98-45
0.346
MAR-TRE-8190bb11-53
0.346
MAR-TRE-4f781e27-42
0.346
MAR-TRE-92684b97-9
0.346
MAR-TRE-a9136c7b-43
0.346
MAR-TRE-9d18ae8c-63
0.346
MAR-TRE-66ac689e-6
0.345
MAR-TRE-799db12b-53
0.345
MAR-TRE-be9ff7d2-88
0.342
MAR-TRE-4f781e27-41
0.342
MAR-TRE-92684b97-21
0.342
MAR-TRE-8190bb11-37
0.341
MAR-TRE-8190bb11-55
0.341
MAR-TRE-be9ff7d2-44
0.341
MAR-TRE-a9136c7b-3
0.341
MAR-TRE-66ac689e-44
0.341
MAR-TRE-66ac689e-4
0.341
MAR-TRE-c317dd82-84
0.341
MAR-TRE-92684b97-30
0.341
MAR-TRE-9d18ae8c-44
0.341
MAR-TRE-8190bb11-44
0.338
MAR-TRE-92684b97-34
0.337
MAR-TRE-9d18ae8c-25
0.337
MAR-TRE-8190bb11-15
0.337
MAR-TRE-8190bb11-84
0.337
MAR-TRE-92684b97-24
0.337
MAR-TRE-a9136c7b-84
0.337
MAR-TRE-799db12b-10
0.337
MAR-TRE-9d18ae8c-56
0.337
MAR-TRE-a9136c7b-61
0.337
MAR-TRE-a9136c7b-41
0.337
MAR-TRE-8190bb11-63
0.337
MAR-TRE-9d18ae8c-75
0.337
MAR-TRE-a9136c7b-99
0.337
MAR-TRE-4f781e27-52
0.337
MAR-TRE-4f781e27-62
0.333
MAR-TRE-c317dd82-1
0.333
MAR-TRE-9d18ae8c-100
0.333
MAR-TRE-4f781e27-66
0.333
MAR-TRE-4f781e27-15
0.333
MAR-TRE-799db12b-22
0.333
MAR-TRE-799db12b-38
0.333
MAR-TRE-8190bb11-3
0.333
MAR-TRE-92684b97-42
0.333
MAR-TRE-92684b97-59
0.333
MAR-TRE-a9136c7b-68
0.330
MAR-TRE-8190bb11-94
0.330
MAR-TRE-4f781e27-89
0.330
MAR-TRE-66ac689e-63
0.329
MAR-TRE-799db12b-5
0.329
MAR-TRE-92684b97-58
0.329
MAR-TRE-c317dd82-73
0.329