Molecular Properties | |
SMILES: | N#CC(NC(=O)c1cncnc1)c1cc(Cl)cc(Cl)c1 |
MW: | 306.01 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.67 |
cLogP: | 2.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanohydrin
N-C-Hal or cyano methyl
MAR-TRE-4f781e27-70
0.649
MAR-TRE-be9ff7d2-3
0.607
MAR-TRE-92684b97-63
0.567
MAR-TRE-a9136c7b-48
0.556
MAR-TRE-9d18ae8c-87
0.540
MAR-TRE-be9ff7d2-48
0.532
MAR-TRE-799db12b-91
0.532
MAR-TRE-c317dd82-94
0.493
MAR-TRE-e82e6c98-13
0.485
MAR-TRE-92684b97-99
0.470
MAR-TRE-a9136c7b-98
0.464
MAR-TRE-8190bb11-59
0.455
MAR-TRE-799db12b-61
0.441
MAR-TRE-c317dd82-41
0.429
MAR-TRE-a9136c7b-66
0.426
MAR-TRE-799db12b-96
0.420
MAR-TRE-9d18ae8c-92
0.416
MAR-TRE-66ac689e-49
0.412
MAR-TRE-92684b97-17
0.412
MAR-TRE-799db12b-55
0.408
MAR-TRE-92684b97-80
0.406
MAR-TRE-66ac689e-92
0.405
MAR-TRE-a9136c7b-91
0.403
MAR-TRE-8190bb11-54
0.400
MAR-TRE-a9136c7b-36
0.394
MAR-TRE-799db12b-15
0.392
MAR-TRE-a9136c7b-70
0.392
MAR-TRE-92684b97-16
0.390
MAR-TRE-4f781e27-14
0.389
MAR-TRE-799db12b-95
0.388
MAR-TRE-8190bb11-91
0.388
MAR-TRE-66ac689e-64
0.387
MAR-TRE-799db12b-79
0.384
MAR-TRE-66ac689e-58
0.382
MAR-TRE-be9ff7d2-65
0.382
MAR-TRE-66ac689e-62
0.382
MAR-TRE-e82e6c98-20
0.380
MAR-TRE-92684b97-32
0.380
MAR-TRE-a9136c7b-55
0.378
MAR-TRE-be9ff7d2-61
0.378
MAR-TRE-8190bb11-71
0.377
MAR-TRE-8190bb11-67
0.377
MAR-TRE-4f781e27-9
0.375
MAR-TRE-c317dd82-24
0.373
MAR-TRE-66ac689e-82
0.373
MAR-TRE-66ac689e-57
0.371
MAR-TRE-8190bb11-28
0.371
MAR-TRE-8190bb11-48
0.371
MAR-TRE-92684b97-35
0.371
MAR-TRE-66ac689e-72
0.370
MAR-TRE-66ac689e-79
0.370
MAR-TRE-9d18ae8c-28
0.370
MAR-TRE-66ac689e-80
0.370
MAR-TRE-66ac689e-56
0.368
MAR-TRE-e82e6c98-70
0.368
MAR-TRE-66ac689e-68
0.365
MAR-TRE-9d18ae8c-59
0.362
MAR-TRE-799db12b-23
0.361
MAR-TRE-92684b97-77
0.361
MAR-TRE-799db12b-100
0.360
MAR-TRE-be9ff7d2-86
0.360
MAR-TRE-9d18ae8c-99
0.360
MAR-TRE-e82e6c98-88
0.359
MAR-TRE-799db12b-47
0.356
MAR-TRE-799db12b-58
0.354
MAR-TRE-a9136c7b-26
0.354
MAR-TRE-be9ff7d2-47
0.353
MAR-TRE-4f781e27-73
0.352
MAR-TRE-a9136c7b-15
0.351
MAR-TRE-799db12b-94
0.351
MAR-TRE-66ac689e-93
0.351
MAR-TRE-a9136c7b-33
0.351
MAR-TRE-4f781e27-68
0.351
MAR-TRE-8190bb11-11
0.347
MAR-TRE-8190bb11-47
0.347
MAR-TRE-9d18ae8c-85
0.347
MAR-TRE-8190bb11-10
0.347
MAR-TRE-799db12b-32
0.347
MAR-TRE-4f781e27-45
0.347
MAR-TRE-92684b97-85
0.347
MAR-TRE-9d18ae8c-60
0.346
MAR-TRE-799db12b-8
0.346
MAR-TRE-799db12b-85
0.346
MAR-TRE-e82e6c98-30
0.343
MAR-TRE-8190bb11-5
0.343
MAR-TRE-66ac689e-3
0.342
MAR-TRE-66ac689e-18
0.342
MAR-TRE-8190bb11-1
0.342
MAR-TRE-8190bb11-60
0.342
MAR-TRE-8190bb11-72
0.342
MAR-TRE-66ac689e-41
0.342
MAR-TRE-4f781e27-24
0.342
MAR-TRE-66ac689e-71
0.342
MAR-TRE-799db12b-50
0.342
MAR-TRE-9d18ae8c-37
0.342
MAR-TRE-66ac689e-84
0.342
MAR-TRE-e82e6c98-46
0.342
MAR-TRE-92684b97-18
0.342
MAR-TRE-9d18ae8c-4
0.342
MAR-TRE-c317dd82-48
0.338