Molecular Properties | |
SMILES: | O=C(NC1CCCCC1NS(=O)(=O)C1CC1)c1cncnc1 |
MW: | 324.13 |
Fraction sp3: | 0.64 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 101.05 |
cLogP: | 0.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-57
0.500
MAR-TRE-92684b97-39
0.444
MAR-TRE-92684b97-62
0.421
MAR-TRE-c317dd82-88
0.412
MAR-TRE-799db12b-29
0.405
MAR-TRE-be9ff7d2-69
0.392
MAR-TRE-be9ff7d2-88
0.375
MAR-TRE-c317dd82-18
0.373
MAR-TRE-be9ff7d2-42
0.373
MAR-TRE-e82e6c98-81
0.373
MAR-TRE-e82e6c98-53
0.370
MAR-TRE-a9136c7b-96
0.370
MAR-TRE-c317dd82-98
0.366
MAR-TRE-e82e6c98-44
0.359
MAR-TRE-e82e6c98-86
0.357
GIA-UNK-d2defdc3-2
0.357
MAR-TRE-e82e6c98-28
0.354
MAR-TRE-799db12b-92
0.353
MAR-TRE-4f781e27-77
0.350
MAR-TRE-be9ff7d2-22
0.346
MAR-TRE-8190bb11-41
0.346
MAR-TRE-799db12b-71
0.345
MAR-TRE-c317dd82-77
0.342
MAR-TRE-a9136c7b-64
0.341
MAR-TRE-a9136c7b-2
0.341
MAR-TRE-a9136c7b-47
0.337
MAR-TRE-9d18ae8c-36
0.337
MAR-TRE-be9ff7d2-30
0.333
MAR-TRE-a9136c7b-95
0.333
MAR-TRE-92684b97-83
0.333
MAR-TRE-799db12b-57
0.329
MAR-TRE-9d18ae8c-38
0.329
MAR-TRE-92684b97-28
0.329
MAR-TRE-4f781e27-90
0.329
MAR-TRE-92684b97-20
0.329
MAR-TRE-c317dd82-8
0.329
GIA-UNK-d2defdc3-1
0.329
MAR-TRE-92684b97-70
0.326
MAR-TRE-a9136c7b-86
0.326
MAR-TRE-e82e6c98-78
0.325
MAR-TRE-4f781e27-89
0.325
MAR-TRE-be9ff7d2-75
0.322
MAR-TRE-4f781e27-18
0.321
MAR-TRE-e82e6c98-65
0.321
MAR-TRE-be9ff7d2-72
0.321
MAR-TRE-4f781e27-64
0.321
MAR-TRE-4f781e27-41
0.320
MAR-TRE-4f781e27-46
0.320
MAR-TRE-be9ff7d2-52
0.318
MAR-TRE-be9ff7d2-8
0.318
MAR-TRE-92684b97-7
0.316
MAR-TRE-a9136c7b-63
0.315
MAR-TRE-c317dd82-65
0.315
MAR-TRE-8190bb11-56
0.312
MAR-TRE-9d18ae8c-78
0.312
MAR-TRE-c317dd82-14
0.310
MAR-TRE-c317dd82-34
0.309
MAR-TRE-c317dd82-46
0.308
MAR-TRE-be9ff7d2-56
0.306
MAR-TRE-66ac689e-15
0.304
MAR-TRE-c317dd82-87
0.304
MAR-TRE-e82e6c98-47
0.303
MAR-TRE-c317dd82-69
0.302
MAR-TRE-c317dd82-89
0.302
MAR-TRE-8190bb11-66
0.302
MAR-TRE-9d18ae8c-70
0.301
MAR-TRE-be9ff7d2-19
0.300
MAR-TRE-e82e6c98-33
0.299
MAR-TRE-be9ff7d2-53
0.299
MAR-TRE-c317dd82-44
0.298
MAR-TRE-c317dd82-80
0.298
MAR-TRE-a9136c7b-89
0.298
MAR-TRE-9d18ae8c-90
0.298
MAR-TRE-92684b97-45
0.298
MAR-TRE-e82e6c98-99
0.298
MAR-TRE-be9ff7d2-74
0.297
MAR-TRE-e82e6c98-94
0.297
MAR-TRE-e82e6c98-21
0.297
MAR-TRE-9d18ae8c-34
0.295
MAR-TRE-be9ff7d2-41
0.295
MAR-TRE-92684b97-94
0.294
MAR-TRE-8190bb11-24
0.293
MAR-TRE-e82e6c98-79
0.293
MAR-TRE-66ac689e-6
0.293
MAR-TRE-9d18ae8c-57
0.293
MAR-TRE-9d18ae8c-96
0.292
MAR-TRE-c317dd82-82
0.291
MAR-TRE-66ac689e-3
0.291
MAR-TRE-c317dd82-73
0.291
MAR-TRE-66ac689e-32
0.291
MAR-TRE-4f781e27-17
0.291
MAR-TRE-8190bb11-39
0.291
MAR-TRE-8190bb11-5
0.289
MAR-TRE-9d18ae8c-76
0.289
MAR-TRE-8190bb11-9
0.289
MAR-TRE-9d18ae8c-16
0.289
MAR-TRE-c317dd82-21
0.288
MAR-TRE-66ac689e-13
0.287
MAR-TRE-a9136c7b-99
0.287
MAR-TRE-e82e6c98-52
0.286