Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)CC1CCCNC1)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-4f781e27-41
0.639
MAR-TRE-c317dd82-98
0.420
MAR-TRE-c317dd82-87
0.405
MAR-TRE-be9ff7d2-88
0.389
MAR-TRE-4f781e27-25
0.378
MAR-TRE-9d18ae8c-73
0.378
MAR-TRE-92684b97-83
0.364
MAR-TRE-a9136c7b-99
0.361
MAR-TRE-4f781e27-90
0.359
MAR-TRE-92684b97-45
0.358
MAR-TRE-c317dd82-73
0.355
MAR-TRE-4f781e27-89
0.354
MAR-TRE-a9136c7b-72
0.352
MAR-TRE-c317dd82-28
0.351
MAR-TRE-4f781e27-55
0.350
MAR-TRE-4f781e27-37
0.350
MAR-TRE-be9ff7d2-71
0.349
MAR-TRE-9d18ae8c-44
0.349
MAK-UNK-748f8b7a-7
0.347
MAR-TRE-a9136c7b-39
0.347
MAR-TRE-4f781e27-80
0.346
MAR-TRE-9d18ae8c-70
0.346
MAR-TRE-9d18ae8c-23
0.345
MAR-TRE-8190bb11-57
0.342
MAR-TRE-92684b97-40
0.342
MAR-TRE-e82e6c98-90
0.341
MAR-TRE-92684b97-42
0.341
MAR-TRE-799db12b-22
0.341
MAR-TRE-9d18ae8c-76
0.338
MAR-TRE-4f781e27-17
0.338
MAR-TRE-8190bb11-53
0.338
MAR-TRE-92684b97-9
0.338
MAR-TRE-799db12b-53
0.338
MAR-TRE-4f781e27-63
0.338
MAR-TRE-be9ff7d2-42
0.333
MAR-TRE-66ac689e-43
0.333
MAR-TRE-92684b97-23
0.333
MAR-TRE-92684b97-43
0.333
MAR-TRE-be9ff7d2-72
0.333
MAR-TRE-92684b97-21
0.333
MAR-TRE-92684b97-33
0.329
MAR-TRE-66ac689e-78
0.329
MAR-TRE-9d18ae8c-56
0.329
MAR-TRE-9d18ae8c-75
0.329
EDG-MED-0da5ad92-9
0.329
MAR-TRE-92684b97-24
0.329
MAR-TRE-c317dd82-100
0.329
MAR-TRE-be9ff7d2-31
0.329
MAR-TRE-8190bb11-44
0.329
MAR-TRE-e82e6c98-94
0.329
MAR-TRE-c317dd82-88
0.329
MAR-TRE-e82e6c98-98
0.325
MAR-TRE-be9ff7d2-27
0.325
MAR-TRE-4f781e27-62
0.325
MAR-TRE-be9ff7d2-58
0.325
MAR-TRE-4f781e27-87
0.325
MAR-TRE-e82e6c98-63
0.324
MAR-TRE-c317dd82-36
0.321
MAR-TRE-e82e6c98-89
0.321
MAR-TRE-a9136c7b-43
0.321
MAR-TRE-a9136c7b-56
0.321
MAR-TRE-4f781e27-42
0.321
MAR-TRE-9d18ae8c-93
0.321
MAR-TRE-be9ff7d2-23
0.321
MAR-TRE-799db12b-6
0.318
MAR-TRE-4f781e27-10
0.318
MAR-TRE-92684b97-30
0.318
MAR-TRE-799db12b-88
0.317
MAR-TRE-a9136c7b-3
0.316
MAR-TRE-66ac689e-13
0.316
MAR-TRE-8190bb11-55
0.316
MAR-TRE-4f781e27-46
0.316
MAR-TRE-c317dd82-43
0.316
MAR-TRE-4f781e27-52
0.314
MAR-TRE-a9136c7b-41
0.313
MAR-TRE-9d18ae8c-79
0.313
MAR-TRE-a9136c7b-61
0.313
MAR-TRE-4f781e27-77
0.313
MAR-TRE-a9136c7b-84
0.312
MAR-TRE-799db12b-29
0.312
MAR-TRE-66ac689e-39
0.312
MAR-TRE-8190bb11-84
0.312
MAR-TRE-9d18ae8c-25
0.312
MAR-TRE-4f781e27-22
0.312
MAR-TRE-92684b97-69
0.312
MAR-TRE-be9ff7d2-17
0.312
MAR-TRE-be9ff7d2-63
0.312
MAR-TRE-4f781e27-72
0.312
MAR-TRE-4f781e27-95
0.312
MAR-TRE-a9136c7b-75
0.312
MAR-TRE-92684b97-60
0.312
MAR-TRE-92684b97-57
0.311
MAR-TRE-be9ff7d2-74
0.311
MAR-TRE-9d18ae8c-5
0.310
MAR-TRE-4f781e27-66
0.310
MAR-TRE-8190bb11-38
0.310
MAR-TRE-e82e6c98-2
0.310
MAR-TRE-be9ff7d2-45
0.309
MAR-TRE-799db12b-38
0.309
MAR-TRE-9d18ae8c-100
0.309