Molecular Properties | |
SMILES: | Cn1ncc2c1CC(CNC(=O)c1cncnc1)CN2S(C)(=O)=O |
MW: | 350.12 |
Fraction sp3: | 0.43 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 110.08 |
cLogP: | -0.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-be9ff7d2-14
0.417
MAR-TRE-e82e6c98-82
0.398
MAR-TRE-e82e6c98-84
0.387
MAR-TRE-be9ff7d2-77
0.382
MAR-TRE-8190bb11-46
0.379
MAR-TRE-c317dd82-60
0.378
MAR-TRE-be9ff7d2-95
0.378
MAR-TRE-e82e6c98-10
0.375
MAR-TRE-c317dd82-6
0.372
MAR-TRE-e82e6c98-48
0.357
MAR-TRE-e82e6c98-22
0.357
MAR-TRE-e82e6c98-49
0.355
MAR-TRE-e82e6c98-62
0.344
MAR-TRE-c317dd82-20
0.343
MAR-TRE-4f781e27-41
0.341
MAR-TRE-be9ff7d2-42
0.341
MAR-TRE-c317dd82-33
0.341
MAR-TRE-66ac689e-12
0.337
MAR-TRE-c317dd82-54
0.337
MAR-TRE-c317dd82-4
0.337
MAR-TRE-c317dd82-51
0.337
MAR-TRE-8190bb11-24
0.333
MAR-TRE-799db12b-35
0.333
MAR-TRE-a9136c7b-6
0.330
MAR-TRE-e82e6c98-4
0.330
MAR-TRE-e82e6c98-92
0.330
MAR-TRE-c317dd82-40
0.330
MAR-TRE-be9ff7d2-24
0.327
MAR-TRE-e82e6c98-96
0.326
MAR-TRE-92684b97-11
0.326
MAR-TRE-e82e6c98-3
0.323
MAR-TRE-a9136c7b-17
0.323
MAR-TRE-e82e6c98-17
0.323
MAR-TRE-e82e6c98-8
0.322
MAR-TRE-e82e6c98-26
0.321
MAR-TRE-be9ff7d2-31
0.321
MAR-TRE-c317dd82-88
0.321
MAR-TRE-799db12b-67
0.320
MAR-TRE-be9ff7d2-96
0.320
MAR-TRE-a9136c7b-83
0.320
MAR-TRE-799db12b-13
0.319
MAR-TRE-be9ff7d2-54
0.319
MAR-TRE-c317dd82-15
0.319
MAR-TRE-e82e6c98-2
0.319
MAR-TRE-be9ff7d2-25
0.318
MAR-TRE-4f781e27-99
0.318
MAR-TRE-e82e6c98-37
0.316
MAR-TRE-c317dd82-83
0.316
MAR-TRE-e82e6c98-40
0.315
MAR-TRE-e82e6c98-59
0.315
MAR-TRE-4f781e27-76
0.315
MAR-TRE-c317dd82-73
0.314
MAR-TRE-9d18ae8c-76
0.313
MAR-TRE-c317dd82-22
0.313
MAR-TRE-8190bb11-2
0.313
MAR-TRE-be9ff7d2-100
0.313
MAR-TRE-be9ff7d2-43
0.310
MAR-TRE-be9ff7d2-33
0.310
MAR-TRE-92684b97-52
0.310
MAR-TRE-e82e6c98-47
0.310
MAR-TRE-8190bb11-13
0.310
MAR-TRE-e82e6c98-61
0.308
MAR-TRE-4f781e27-77
0.308
MAR-TRE-799db12b-29
0.307
MAR-TRE-c317dd82-92
0.307
MAR-TRE-be9ff7d2-17
0.307
MAR-TRE-4f781e27-22
0.307
MAR-TRE-92684b97-83
0.307
MAR-TRE-be9ff7d2-47
0.305
MAR-TRE-9d18ae8c-90
0.304
MAR-TRE-c317dd82-64
0.304
MAR-TRE-e82e6c98-64
0.304
MAR-TRE-4f781e27-65
0.304
MAR-TRE-be9ff7d2-92
0.304
MAR-TRE-e82e6c98-5
0.304
MAR-TRE-66ac689e-67
0.304
MAR-TRE-a9136c7b-72
0.304
MAR-TRE-be9ff7d2-45
0.303
MAR-TRE-e82e6c98-12
0.303
MAR-TRE-4f781e27-16
0.303
MAR-TRE-be9ff7d2-70
0.303
MAR-TRE-be9ff7d2-80
0.303
MAR-TRE-e82e6c98-76
0.302
MAR-TRE-8190bb11-96
0.302
MAR-TRE-e82e6c98-85
0.302
MAR-TRE-799db12b-64
0.302
MAR-TRE-799db12b-98
0.302
MAR-TRE-c317dd82-61
0.301
MAR-TRE-c317dd82-72
0.301
MAR-TRE-be9ff7d2-32
0.300
MAR-TRE-c317dd82-57
0.300
MAR-TRE-66ac689e-73
0.300
MAR-TRE-8190bb11-33
0.300
MAR-TRE-a9136c7b-5
0.299
MAR-TRE-8190bb11-50
0.299
MAR-TRE-be9ff7d2-51
0.298
MAR-TRE-c317dd82-26
0.298
MAR-TRE-e82e6c98-6
0.298
MAR-TRE-e82e6c98-68
0.298
MAR-TRE-e82e6c98-60
0.297