Molecular Properties | |
SMILES: | N#CC(NC(=O)c1cncnc1)c1ccccc1Br |
MW: | 316.0 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.67 |
cLogP: | 2.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanohydrin
Filter9_metal
N-C-Hal or cyano methyl
aryl bromide
MAR-TRE-92684b97-50
0.581
MAR-TRE-4f781e27-91
0.554
MAR-TRE-4f781e27-86
0.545
MAR-TRE-92684b97-63
0.540
MAR-TRE-a9136c7b-48
0.530
MAR-TRE-a9136c7b-98
0.529
MAR-TRE-799db12b-91
0.508
MAR-TRE-4f781e27-70
0.492
MAR-TRE-9d18ae8c-87
0.471
MAR-TRE-e82e6c98-43
0.470
MAR-TRE-be9ff7d2-3
0.443
MAR-TRE-8190bb11-91
0.433
MAR-TRE-92684b97-27
0.420
MAR-TRE-799db12b-85
0.418
MAR-TRE-66ac689e-36
0.410
MAR-TRE-9d18ae8c-99
0.400
MAR-TRE-4f781e27-40
0.397
MAR-TRE-4f781e27-9
0.395
MAR-TRE-4f781e27-32
0.394
MAR-TRE-799db12b-23
0.384
MAR-TRE-92684b97-84
0.380
MAR-TRE-92684b97-17
0.375
MAR-TRE-92684b97-35
0.375
MAR-TRE-9d18ae8c-25
0.373
MAR-TRE-8190bb11-11
0.370
MAR-TRE-9d18ae8c-64
0.370
MAR-TRE-8190bb11-54
0.365
MAR-TRE-4f781e27-19
0.365
MAR-TRE-92684b97-9
0.365
MAR-TRE-9d18ae8c-8
0.364
MAR-TRE-8190bb11-67
0.362
MAR-TRE-92684b97-21
0.361
MAR-TRE-8190bb11-98
0.360
MAR-TRE-4f781e27-51
0.359
MAR-TRE-9d18ae8c-51
0.358
MAR-TRE-8190bb11-48
0.356
MAR-TRE-92684b97-60
0.356
MAR-TRE-4f781e27-73
0.356
MAR-TRE-4f781e27-14
0.355
MAR-TRE-9d18ae8c-97
0.355
MAR-TRE-9d18ae8c-28
0.355
MAR-TRE-a9136c7b-67
0.354
MAR-TRE-799db12b-95
0.352
MAR-TRE-e82e6c98-70
0.352
MAR-TRE-92684b97-51
0.351
MAR-TRE-a9136c7b-66
0.351
MAR-TRE-4f781e27-45
0.351
MAR-TRE-9d18ae8c-94
0.350
MAR-TRE-92684b97-32
0.349
MAR-TRE-66ac689e-58
0.347
MAR-TRE-e82e6c98-30
0.347
MAR-TRE-8190bb11-72
0.347
MAR-TRE-66ac689e-3
0.347
MAR-TRE-66ac689e-71
0.346
MAR-TRE-be9ff7d2-86
0.346
MAR-TRE-4f781e27-44
0.346
MAR-TRE-9d18ae8c-17
0.346
MAR-TRE-92684b97-87
0.342
MAR-TRE-8190bb11-71
0.342
MAR-TRE-9d18ae8c-67
0.342
MAR-TRE-be9ff7d2-64
0.342
MAR-TRE-8190bb11-25
0.342
MAR-TRE-799db12b-78
0.341
MAR-TRE-4f781e27-94
0.341
MAR-TRE-be9ff7d2-47
0.338
MAR-TRE-66ac689e-57
0.338
MAR-TRE-8190bb11-28
0.338
MAR-TRE-8190bb11-59
0.338
MAR-TRE-4f781e27-39
0.338
MAR-TRE-66ac689e-72
0.338
MAR-TRE-799db12b-94
0.338
MAR-TRE-4f781e27-30
0.338
MAR-TRE-92684b97-68
0.337
MAR-TRE-8190bb11-14
0.333
MAR-TRE-8190bb11-26
0.333
MAR-TRE-4f781e27-62
0.333
MAR-TRE-a9136c7b-91
0.333
MAR-TRE-799db12b-32
0.333
MAR-TRE-8190bb11-10
0.333
MAR-TRE-8190bb11-56
0.333
MAR-TRE-9d18ae8c-92
0.333
MAR-TRE-92684b97-15
0.333
MAR-TRE-4f781e27-71
0.333
MAR-TRE-9d18ae8c-60
0.333
MAR-TRE-66ac689e-81
0.333
MAR-TRE-799db12b-73
0.329
MAR-TRE-66ac689e-48
0.329
MAR-TRE-799db12b-50
0.329
MAR-TRE-799db12b-100
0.329
MAR-TRE-66ac689e-41
0.329
MAR-TRE-9d18ae8c-88
0.329
MAR-TRE-e82e6c98-20
0.329
MAR-TRE-66ac689e-18
0.329
MAR-TRE-4f781e27-29
0.329
MAR-TRE-92684b97-77
0.329
MAR-TRE-8190bb11-5
0.329
MAR-TRE-66ac689e-62
0.329
MAR-TRE-9d18ae8c-59
0.329
MAR-TRE-c317dd82-41
0.329
MAR-TRE-4f781e27-5
0.326