Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)CC1CCNCC1)c1cncnc1 |
MW: | 284.09 |
Fraction sp3: | 0.55 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 101.05 |
cLogP: | -0.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-4f781e27-64
0.639
MAR-TRE-c317dd82-98
0.541
MAR-TRE-a9136c7b-99
0.434
MAR-TRE-be9ff7d2-88
0.433
MAR-TRE-c317dd82-87
0.429
MAR-TRE-9d18ae8c-44
0.421
MAR-TRE-4f781e27-25
0.400
MAR-TRE-9d18ae8c-73
0.400
MAR-TRE-9d18ae8c-76
0.397
MAR-TRE-c317dd82-73
0.375
MAR-TRE-4f781e27-55
0.368
MAR-TRE-4f781e27-37
0.368
MAR-TRE-a9136c7b-39
0.366
MAR-TRE-c317dd82-9
0.365
MAR-TRE-4f781e27-80
0.364
MAR-TRE-92684b97-33
0.362
MAR-TRE-4f781e27-62
0.361
MAR-TRE-4f781e27-90
0.360
MAR-TRE-799db12b-22
0.359
MAR-TRE-4f781e27-42
0.356
MAR-TRE-4f781e27-63
0.355
MAR-TRE-a9136c7b-44
0.354
MAR-TRE-be9ff7d2-72
0.351
MAR-TRE-be9ff7d2-71
0.350
MAR-TRE-c317dd82-88
0.348
MAR-TRE-8190bb11-44
0.347
MAR-TRE-4f781e27-95
0.347
MAR-TRE-4f781e27-22
0.347
MAR-TRE-9d18ae8c-70
0.346
MAR-TRE-9d18ae8c-79
0.346
MAR-TRE-4f781e27-77
0.346
MAR-TRE-9d18ae8c-23
0.346
MAR-TRE-8190bb11-24
0.343
MAR-TRE-e82e6c98-63
0.343
MAR-TRE-be9ff7d2-45
0.342
MAR-TRE-799db12b-38
0.342
MAR-TRE-be9ff7d2-27
0.342
MAR-TRE-e82e6c98-98
0.342
MAR-TRE-4f781e27-66
0.342
MAR-TRE-92684b97-45
0.342
MAR-TRE-c317dd82-71
0.342
MAR-TRE-c317dd82-5
0.341
MAR-TRE-92684b97-9
0.338
MAR-TRE-a9136c7b-43
0.338
MAR-TRE-be9ff7d2-23
0.338
MAR-TRE-a9136c7b-56
0.338
MAR-TRE-8190bb11-1
0.338
MAR-TRE-e82e6c98-56
0.338
MAR-TRE-799db12b-53
0.338
MAR-TRE-4f781e27-89
0.338
MAR-TRE-c317dd82-30
0.338
MAR-TRE-92684b97-30
0.333
MAR-TRE-4f781e27-46
0.333
MAR-TRE-c317dd82-28
0.333
MAR-TRE-be9ff7d2-42
0.333
MAR-TRE-92684b97-43
0.333
MAR-TRE-c317dd82-43
0.333
MAR-TRE-4f781e27-10
0.333
MAR-TRE-92684b97-21
0.333
MAR-TRE-92684b97-52
0.333
MAR-TRE-c317dd82-6
0.333
MAR-TRE-e82e6c98-48
0.333
MAR-TRE-a9136c7b-3
0.333
MAR-TRE-66ac689e-13
0.333
MAR-TRE-66ac689e-43
0.333
MAR-TRE-4f781e27-52
0.329
MAR-TRE-a9136c7b-61
0.329
MAR-TRE-9d18ae8c-75
0.329
MAR-TRE-66ac689e-78
0.329
MAR-TRE-9d18ae8c-56
0.329
MAR-TRE-be9ff7d2-14
0.329
MAR-TRE-92684b97-34
0.329
MAR-TRE-92684b97-69
0.329
MAR-TRE-92684b97-83
0.329
MAR-TRE-9d18ae8c-25
0.329
MAR-TRE-a9136c7b-84
0.329
MAR-TRE-8190bb11-84
0.329
MAR-TRE-92684b97-24
0.329
MAR-TRE-c317dd82-100
0.329
MAR-TRE-be9ff7d2-17
0.329
MAR-TRE-be9ff7d2-63
0.329
MAR-TRE-4f781e27-72
0.329
MAR-TRE-92684b97-60
0.329
MAR-TRE-be9ff7d2-31
0.329
MAR-TRE-a9136c7b-75
0.329
MAR-TRE-be9ff7d2-74
0.329
MAK-UNK-748f8b7a-15
0.328
MAR-TRE-e82e6c98-2
0.325
MAR-TRE-be9ff7d2-54
0.325
MAR-TRE-92684b97-42
0.325
MAR-TRE-e82e6c98-90
0.325
MAR-TRE-799db12b-7
0.325
MAR-TRE-9d18ae8c-100
0.325
MAR-TRE-4f781e27-54
0.325
MAR-TRE-8190bb11-3
0.325
MAR-TRE-8190bb11-57
0.324
MAR-TRE-4f781e27-50
0.324
MAR-TRE-c317dd82-63
0.324
MAR-TRE-a9136c7b-40
0.324
MAR-TRE-8190bb11-29
0.324