Molecular Properties | |
SMILES: | CC1COCCN1S(=O)(=O)NC(=O)c1cncnc1 |
MW: | 286.07 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 101.49 |
cLogP: | -0.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-43
0.423
MAR-TRE-be9ff7d2-88
0.414
MAR-TRE-be9ff7d2-72
0.411
MAR-TRE-e82e6c98-90
0.380
MAR-TRE-799db12b-22
0.380
MAR-TRE-66ac689e-6
0.377
MAR-TRE-4f781e27-41
0.375
MAR-TRE-c317dd82-96
0.375
MAR-TRE-e82e6c98-81
0.373
MAR-TRE-c317dd82-18
0.373
MAR-TRE-66ac689e-43
0.372
MAR-TRE-4f781e27-72
0.370
MAR-TRE-be9ff7d2-63
0.370
MAR-TRE-c317dd82-100
0.368
MAR-TRE-c317dd82-98
0.366
MAR-TRE-8190bb11-45
0.364
MAR-TRE-e82e6c98-89
0.360
MAR-TRE-e82e6c98-56
0.359
MAR-TRE-66ac689e-13
0.355
MAR-TRE-be9ff7d2-16
0.355
MAR-TRE-4f781e27-64
0.355
MAR-TRE-8190bb11-55
0.355
MAR-TRE-be9ff7d2-13
0.355
MAR-TRE-c317dd82-87
0.355
MAR-TRE-be9ff7d2-42
0.355
MAR-TRE-4f781e27-97
0.354
MAR-TRE-a9136c7b-65
0.354
MAR-TRE-799db12b-34
0.354
MAR-TRE-be9ff7d2-31
0.351
MAR-TRE-a9136c7b-75
0.351
MAR-TRE-92684b97-34
0.351
MAR-TRE-9d18ae8c-56
0.350
MAR-TRE-9d18ae8c-75
0.350
MAR-TRE-66ac689e-78
0.350
MAR-TRE-4f781e27-67
0.349
MAR-TRE-8190bb11-100
0.349
MAR-TRE-e82e6c98-63
0.347
MAR-TRE-4f781e27-25
0.347
MAR-TRE-4f781e27-50
0.347
MAR-TRE-92684b97-40
0.347
MAR-TRE-8190bb11-57
0.347
MAR-TRE-8190bb11-29
0.347
MAR-TRE-a9136c7b-20
0.347
MAR-TRE-4f781e27-90
0.346
MAR-TRE-4f781e27-15
0.346
MAR-TRE-8190bb11-12
0.346
MAR-TRE-4f781e27-54
0.346
MAR-TRE-9d18ae8c-100
0.346
MAR-TRE-92684b97-45
0.346
MAR-TRE-9d18ae8c-63
0.342
MAR-TRE-92684b97-48
0.342
MAR-TRE-e82e6c98-83
0.342
MAR-TRE-e82e6c98-45
0.342
MAR-TRE-e82e6c98-71
0.342
MAR-TRE-a9136c7b-56
0.342
MAR-TRE-4f781e27-63
0.342
MAR-TRE-e82e6c98-34
0.342
MAR-TRE-799db12b-53
0.342
MAR-TRE-4f781e27-89
0.341
MAR-TRE-4f781e27-3
0.341
MAR-TRE-4f781e27-46
0.338
MAR-TRE-c317dd82-43
0.338
MAR-TRE-8190bb11-37
0.338
MAR-TRE-be9ff7d2-69
0.338
MAR-TRE-799db12b-88
0.338
MAR-TRE-66ac689e-17
0.338
MAR-TRE-92684b97-23
0.337
MAR-TRE-be9ff7d2-4
0.337
MAR-TRE-8190bb11-19
0.337
MAR-TRE-4f781e27-10
0.337
MAR-TRE-c317dd82-22
0.337
MAR-TRE-a9136c7b-17
0.333
MAR-TRE-a9136c7b-61
0.333
MAR-TRE-4f781e27-95
0.333
MAR-TRE-a9136c7b-15
0.333
MAR-TRE-799db12b-29
0.333
MAR-TRE-8190bb11-44
0.333
MAR-TRE-92684b97-7
0.333
MAR-TRE-c317dd82-88
0.333
MAR-TRE-8190bb11-7
0.333
MAR-TRE-9d18ae8c-70
0.333
MAR-TRE-8190bb11-63
0.333
MAR-TRE-66ac689e-5
0.333
MAR-TRE-799db12b-8
0.329
MAR-TRE-a9136c7b-88
0.329
MAR-TRE-e82e6c98-98
0.329
MAR-TRE-66ac689e-61
0.329
MAR-TRE-be9ff7d2-27
0.329
MAR-TRE-be9ff7d2-54
0.329
MAR-TRE-799db12b-38
0.329
MAR-TRE-be9ff7d2-45
0.329
MAR-TRE-e82e6c98-66
0.329
MAR-TRE-c317dd82-1
0.329
MAR-TRE-4f781e27-87
0.329
MAR-TRE-92684b97-59
0.329
MAR-TRE-9d18ae8c-31
0.329
MAR-TRE-be9ff7d2-58
0.329
MAR-TRE-8190bb11-32
0.329
MAR-TRE-e82e6c98-55
0.329
MAR-TRE-a9136c7b-40
0.329