Molecular Properties | |
SMILES: | N#CC(N)C(C#N)Nc1cnc(CCl)[nH]1 |
MW: | 224.06 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 114.31 |
cLogP: | 0.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanohydrin
Filter6_benzyl_halide
N-C-Hal or cyano methyl
too many cyano Groups (>1)
Alkyl Halide
MAR-TRE-87acfbcc-71
0.537
MAR-TRE-87acfbcc-79
0.481
MAR-TRE-87acfbcc-12
0.444
MAR-TRE-87acfbcc-13
0.421
MAR-TRE-87acfbcc-41
0.411
MAR-TRE-87acfbcc-36
0.411
MAR-TRE-87acfbcc-11
0.407
MAR-TRE-87acfbcc-38
0.404
MAR-TRE-87acfbcc-91
0.397
MAR-TRE-87acfbcc-50
0.393
MAR-TRE-87acfbcc-20
0.390
MAR-TRE-87acfbcc-7
0.390
MAR-TRE-87acfbcc-15
0.390
MAR-TRE-87acfbcc-95
0.385
MAR-TRE-87acfbcc-47
0.383
MAR-TRE-87acfbcc-8
0.383
MAR-TRE-87acfbcc-2
0.381
MAR-TRE-87acfbcc-67
0.375
MAR-TRE-87acfbcc-72
0.375
MAR-TRE-87acfbcc-46
0.371
MAR-TRE-87acfbcc-21
0.371
MAR-TRE-87acfbcc-35
0.369
MAR-TRE-87acfbcc-90
0.365
MAR-TRE-87acfbcc-16
0.365
MAR-TRE-87acfbcc-28
0.359
MAR-TRE-87acfbcc-25
0.358
MAR-TRE-87acfbcc-97
0.358
MAR-TRE-87acfbcc-51
0.358
MAR-TRE-87acfbcc-9
0.354
MAR-TRE-87acfbcc-22
0.354
MAR-TRE-87acfbcc-87
0.354
MAR-TRE-87acfbcc-99
0.353
MAR-TRE-87acfbcc-83
0.353
MAR-TRE-87acfbcc-53
0.353
MAR-TRE-87acfbcc-63
0.348
MAR-TRE-87acfbcc-5
0.348
MAR-TRE-87acfbcc-19
0.343
MAR-TRE-87acfbcc-52
0.333
MAR-TRE-87acfbcc-59
0.329
MAR-TRE-87acfbcc-45
0.323
MAR-TRE-87acfbcc-89
0.323
MAR-TRE-87acfbcc-37
0.323
MAR-TRE-87acfbcc-48
0.323
MAR-TRE-87acfbcc-98
0.323
MAR-TRE-87acfbcc-4
0.323
MAR-TRE-87acfbcc-86
0.317
MAR-TRE-87acfbcc-33
0.312
MAR-TRE-87acfbcc-55
0.302
MAR-TRE-87acfbcc-49
0.302
MAR-TRE-87acfbcc-14
0.299
MAR-TRE-87acfbcc-62
0.297
MAR-TRE-87acfbcc-61
0.296
MAR-TRE-87acfbcc-100
0.292
MAR-TRE-87acfbcc-76
0.292
MAR-TRE-87acfbcc-44
0.286
MAR-TRE-87acfbcc-93
0.284
MAR-TRE-87acfbcc-32
0.279
MAR-TRE-87acfbcc-54
0.279
MAR-TRE-87acfbcc-58
0.279
MAR-TRE-87acfbcc-10
0.271
MAR-TRE-87acfbcc-34
0.268
MAR-TRE-87acfbcc-73
0.268
MAR-TRE-87acfbcc-92
0.266
MAR-TRE-87acfbcc-94
0.264
MAR-TRE-d3c2bf0e-35
0.263
MAR-TRE-87acfbcc-56
0.258
MAR-TRE-87acfbcc-29
0.256
MAR-TRE-87acfbcc-65
0.253
MAR-TRE-87acfbcc-80
0.250
MAR-TRE-87acfbcc-26
0.250
MAR-TRE-87acfbcc-81
0.247
MAR-TRE-87acfbcc-43
0.246
MAR-TRE-87acfbcc-30
0.246
MAR-TRE-87acfbcc-57
0.243
MAR-TRE-87acfbcc-64
0.239
MAR-TRE-87acfbcc-1
0.238
MAR-TRE-87acfbcc-3
0.237
MAR-TRE-87acfbcc-60
0.236
MAR-TRE-87acfbcc-68
0.235
MAR-TRE-87acfbcc-17
0.234
MAR-TRE-87acfbcc-88
0.232
MAR-TRE-87acfbcc-69
0.231
MAR-TRE-87acfbcc-85
0.229
MAR-TRE-87acfbcc-6
0.229
MAR-TRE-87acfbcc-78
0.227
MAR-TRE-87acfbcc-27
0.225
MAR-TRE-87acfbcc-82
0.225
MAR-TRE-87acfbcc-31
0.225
MAR-TRE-87acfbcc-24
0.222
MAR-TRE-87acfbcc-39
0.219
MAR-TRE-87acfbcc-96
0.216
MAR-TRE-87acfbcc-42
0.216
MAR-TRE-87acfbcc-74
0.216
MAR-TRE-87acfbcc-23
0.215
MAR-TRE-87acfbcc-84
0.214
MAR-TRE-87acfbcc-66
0.211
MAK-UNK-9955b1f3-11
0.203
MAR-TRE-87acfbcc-75
0.203
MAK-UNK-72659d64-2
0.200
MAR-TRE-6a44bbf2-92
0.197