Molecular Properties | |
SMILES: | CC1CCc2ccccc2N1S(=O)(=O)NC(=O)c1cncnc1 |
MW: | 332.09 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 92.26 |
cLogP: | 1.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-c317dd82-73
0.423
MAR-TRE-c317dd82-98
0.377
MAR-TRE-4f781e27-63
0.369
MAR-TRE-be9ff7d2-88
0.367
MAR-TRE-66ac689e-43
0.365
MAR-TRE-92684b97-21
0.350
MAR-TRE-8190bb11-19
0.348
MAR-TRE-9d18ae8c-70
0.345
MAR-TRE-9d18ae8c-73
0.341
MAR-TRE-4f781e27-25
0.341
MAR-TRE-4f781e27-54
0.341
MAR-TRE-4f781e27-90
0.341
MAR-TRE-92684b97-45
0.341
MAR-TRE-9d18ae8c-72
0.338
MAR-TRE-a9136c7b-43
0.337
MAR-TRE-66ac689e-6
0.337
MAR-TRE-4f781e27-89
0.337
MAR-TRE-4f781e27-41
0.333
MAR-TRE-4f781e27-64
0.333
MAR-TRE-4f781e27-97
0.333
MAR-TRE-9d18ae8c-39
0.333
MAR-TRE-be9ff7d2-13
0.333
MAR-TRE-66ac689e-13
0.333
MAR-TRE-92684b97-79
0.330
MAR-TRE-9d18ae8c-79
0.330
MAR-TRE-8190bb11-63
0.330
MAR-TRE-9d18ae8c-25
0.329
MAR-TRE-8190bb11-15
0.329
MAR-TRE-be9ff7d2-31
0.329
MAR-TRE-8190bb11-44
0.329
MAR-TRE-9d18ae8c-61
0.329
MAR-TRE-799db12b-22
0.326
SAD-SAT-24589cd1-7
0.325
MAR-TRE-a9136c7b-20
0.325
MAR-TRE-92684b97-59
0.325
MAR-TRE-a9136c7b-68
0.322
MAR-TRE-92684b97-94
0.322
MAR-TRE-be9ff7d2-23
0.321
MAR-TRE-92684b97-48
0.321
MAR-TRE-92684b97-9
0.321
MAR-TRE-8190bb11-1
0.321
MAR-TRE-799db12b-81
0.319
MAR-TRE-4f781e27-61
0.319
MAR-TRE-9d18ae8c-44
0.319
MAR-TRE-92684b97-30
0.319
MAR-TRE-a9136c7b-87
0.318
MAR-TRE-4f781e27-55
0.318
MAR-TRE-9d18ae8c-27
0.318
MAR-TRE-c317dd82-87
0.318
MAR-TRE-be9ff7d2-72
0.318
MAR-TRE-92684b97-76
0.318
MAR-TRE-4f781e27-52
0.315
MAR-TRE-8190bb11-66
0.315
MAR-TRE-9d18ae8c-56
0.315
MAR-TRE-a9136c7b-61
0.315
MAR-TRE-66ac689e-78
0.315
MAR-TRE-a9136c7b-41
0.315
MAR-TRE-8190bb11-87
0.315
MAR-TRE-4f781e27-80
0.315
MAR-TRE-9d18ae8c-75
0.315
MAR-TRE-66ac689e-5
0.315
MAR-TRE-c317dd82-100
0.314
MAR-TRE-a9136c7b-84
0.314
MAR-TRE-66ac689e-39
0.314
MAR-TRE-92684b97-24
0.314
MAR-TRE-92684b97-69
0.314
MAR-TRE-92684b97-60
0.313
MAR-TRE-c317dd82-88
0.312
MAR-TRE-8190bb11-46
0.311
MAR-TRE-4f781e27-66
0.311
MAR-TRE-92684b97-28
0.311
MAR-TRE-92684b97-42
0.311
MAR-TRE-8190bb11-38
0.311
MAR-TRE-c317dd82-1
0.310
MAR-TRE-be9ff7d2-45
0.310
MAR-TRE-9d18ae8c-100
0.310
MAR-TRE-be9ff7d2-58
0.310
MAR-TRE-92684b97-40
0.310
MAR-TRE-8190bb11-57
0.310
MAR-TRE-4f781e27-50
0.310
MAR-TRE-a9136c7b-64
0.308
MAR-TRE-9d18ae8c-47
0.307
MAR-TRE-799db12b-53
0.307
MAR-TRE-66ac689e-50
0.307
MAR-TRE-e82e6c98-89
0.306
MAR-TRE-8190bb11-60
0.306
MAR-TRE-4f781e27-33
0.306
MAR-TRE-4f781e27-42
0.306
MAR-TRE-92684b97-23
0.304
MAR-TRE-66ac689e-11
0.304
MAR-TRE-8190bb11-21
0.304
MAR-TRE-799db12b-88
0.303
MAR-TRE-92684b97-65
0.303
MAR-TRE-92684b97-90
0.303
MAR-TRE-4f781e27-37
0.303
MAR-TRE-66ac689e-17
0.303
MAR-TRE-66ac689e-44
0.303
MAR-TRE-92684b97-13
0.302
MAR-TRE-c317dd82-28
0.302
MAR-TRE-8190bb11-37
0.302