Molecular Properties | |
SMILES: | N#CC(NC(=O)c1cncnc1)c1ccc(Br)cc1 |
MW: | 316.0 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.67 |
cLogP: | 2.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9810603827 |
MolPort: | MolPort-046-809-840 |
cyanohydrin
Filter9_metal
N-C-Hal or cyano methyl
aryl bromide
MAR-TRE-4f781e27-70
0.709
MAR-TRE-9d18ae8c-87
0.672
MAR-TRE-e82e6c98-43
0.567
MAR-TRE-92684b97-99
0.540
MAR-TRE-be9ff7d2-3
0.531
MAR-TRE-4f781e27-73
0.524
MAR-TRE-799db12b-91
0.508
MAR-TRE-8190bb11-72
0.508
MAR-TRE-8190bb11-89
0.486
MAR-TRE-a9136c7b-48
0.485
MAR-TRE-9d18ae8c-51
0.466
MAR-TRE-a9136c7b-98
0.464
MAR-TRE-66ac689e-58
0.424
MAR-TRE-92684b97-35
0.412
MAR-TRE-799db12b-94
0.408
MAR-TRE-66ac689e-62
0.403
MAR-TRE-799db12b-79
0.403
MAR-TRE-8190bb11-54
0.400
MAR-TRE-9d18ae8c-92
0.397
MAR-TRE-8190bb11-67
0.395
MAR-TRE-66ac689e-57
0.391
MAR-TRE-92684b97-17
0.391
MAR-TRE-799db12b-78
0.390
MAR-TRE-799db12b-55
0.389
MAR-TRE-e82e6c98-70
0.388
MAR-TRE-4f781e27-78
0.388
MAR-TRE-799db12b-31
0.387
MAR-TRE-8190bb11-11
0.386
MAR-TRE-4f781e27-45
0.384
MAR-TRE-799db12b-32
0.384
MAR-TRE-9d18ae8c-59
0.382
MAR-TRE-8190bb11-5
0.382
MAR-TRE-66ac689e-18
0.380
MAR-TRE-66ac689e-3
0.380
MAR-TRE-799db12b-61
0.380
MAR-TRE-799db12b-96
0.380
MAR-TRE-799db12b-100
0.378
MAR-TRE-66ac689e-71
0.378
MAR-TRE-92684b97-56
0.377
MAR-TRE-92684b97-50
0.377
MAR-TRE-799db12b-47
0.375
MAR-TRE-66ac689e-95
0.375
MAR-TRE-a9136c7b-70
0.373
MAR-TRE-66ac689e-94
0.373
MAR-TRE-be9ff7d2-47
0.373
MAR-TRE-4f781e27-39
0.371
MAR-TRE-8190bb11-59
0.371
MAR-TRE-66ac689e-49
0.371
MAR-TRE-9d18ae8c-28
0.370
MAR-TRE-799db12b-46
0.370
MAR-TRE-66ac689e-42
0.370
MAR-TRE-66ac689e-79
0.370
MAR-TRE-4f781e27-14
0.370
MAR-TRE-66ac689e-64
0.368
MAR-TRE-8190bb11-47
0.366
MAR-TRE-9d18ae8c-85
0.366
MAR-TRE-92684b97-80
0.366
MAR-TRE-9d18ae8c-21
0.366
MAR-TRE-92684b97-15
0.365
MAR-TRE-66ac689e-100
0.365
MAR-TRE-66ac689e-81
0.365
MAR-TRE-c317dd82-41
0.364
MAR-TRE-4f781e27-71
0.364
MAR-TRE-4f781e27-91
0.361
MAR-TRE-92684b97-77
0.361
MAR-TRE-9d18ae8c-99
0.360
MAR-TRE-66ac689e-48
0.360
MAR-TRE-799db12b-50
0.360
MAR-TRE-66ac689e-85
0.360
MAR-TRE-799db12b-28
0.359
MAR-TRE-9d18ae8c-26
0.358
MAR-TRE-8190bb11-71
0.357
MAR-TRE-8190bb11-78
0.356
MAR-TRE-92684b97-71
0.356
MAR-TRE-9d18ae8c-67
0.356
MAR-TRE-4f781e27-86
0.356
MAR-TRE-799db12b-15
0.355
MAR-TRE-c317dd82-24
0.355
MAR-TRE-a9136c7b-49
0.355
MAR-TRE-799db12b-80
0.355
MAR-TRE-66ac689e-82
0.355
MAR-TRE-4f781e27-51
0.355
MAR-TRE-9d18ae8c-41
0.355
MAR-TRE-799db12b-58
0.354
MAR-TRE-8190bb11-28
0.352
MAR-TRE-4f781e27-32
0.352
MAR-TRE-92684b97-60
0.352
MAR-TRE-8190bb11-48
0.352
MAR-TRE-66ac689e-80
0.351
MAR-TRE-9d18ae8c-40
0.351
MAR-TRE-66ac689e-72
0.351
MAR-TRE-4f781e27-68
0.351
MAR-TRE-66ac689e-56
0.351
MAR-TRE-799db12b-95
0.348
MAR-TRE-8190bb11-91
0.348
MAR-TRE-a9136c7b-66
0.347
MAR-TRE-92684b97-41
0.347
MAR-TRE-be9ff7d2-68
0.347
MAR-TRE-8190bb11-74
0.347
MAR-TRE-66ac689e-68
0.347