Molecular Properties | |
SMILES: | N#CC(NC(=O)c1cncnc1)c1ccc(Cl)cc1Cl |
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-a9136c7b-66
0.603
MAR-TRE-4f781e27-70
0.581
MAR-TRE-a9136c7b-91
0.567
MAR-TRE-e82e6c98-43
0.556
MAR-TRE-799db12b-91
0.547
MAR-TRE-a9136c7b-98
0.544
MAR-TRE-92684b97-99
0.530
MAR-TRE-92684b97-63
0.485
MAR-TRE-9d18ae8c-87
0.464
MAR-TRE-be9ff7d2-3
0.457
MAR-TRE-92684b97-32
0.449
MAR-TRE-799db12b-61
0.417
MAR-TRE-9d18ae8c-92
0.412
MAR-TRE-a9136c7b-36
0.411
MAR-TRE-8190bb11-59
0.408
MAR-TRE-8190bb11-91
0.406
MAR-TRE-799db12b-96
0.397
MAR-TRE-e82e6c98-20
0.397
MAR-TRE-8190bb11-67
0.392
MAR-TRE-be9ff7d2-78
0.390
MAR-TRE-4f781e27-9
0.390
MAR-TRE-c317dd82-24
0.390
MAR-TRE-66ac689e-49
0.389
MAR-TRE-66ac689e-79
0.387
MAR-TRE-a9136c7b-33
0.387
MAR-TRE-799db12b-95
0.386
MAR-TRE-66ac689e-64
0.385
MAR-TRE-92684b97-80
0.384
MAR-TRE-799db12b-23
0.378
MAR-TRE-8190bb11-54
0.378
MAR-TRE-66ac689e-63
0.377
MAR-TRE-be9ff7d2-48
0.375
MAR-TRE-a9136c7b-70
0.372
MAR-TRE-799db12b-15
0.372
MAR-TRE-66ac689e-82
0.372
MAR-TRE-92684b97-16
0.370
MAR-TRE-92684b97-17
0.370
MAR-TRE-799db12b-55
0.368
MAR-TRE-66ac689e-80
0.368
MAR-TRE-66ac689e-56
0.367
MAR-TRE-66ac689e-92
0.367
MAR-TRE-4f781e27-84
0.365
MAR-TRE-a9136c7b-46
0.362
MAR-TRE-c317dd82-41
0.362
MAR-TRE-66ac689e-58
0.361
MAR-TRE-9d18ae8c-59
0.361
MAR-TRE-8190bb11-60
0.360
MAR-TRE-a9136c7b-55
0.359
MAR-TRE-92684b97-50
0.356
MAR-TRE-a9136c7b-58
0.354
MAR-TRE-799db12b-58
0.354
MAR-TRE-a9136c7b-26
0.353
MAR-TRE-4f781e27-14
0.351
MAR-TRE-66ac689e-72
0.351
MAR-TRE-8190bb11-84
0.351
MAR-TRE-c317dd82-94
0.351
MAR-TRE-e82e6c98-70
0.347
MAR-TRE-e82e6c98-13
0.346
MAR-TRE-799db12b-32
0.346
MAR-TRE-799db12b-79
0.346
MAR-TRE-a9136c7b-52
0.345
MAR-TRE-8190bb11-5
0.342
MAR-TRE-66ac689e-3
0.342
MAR-TRE-8190bb11-53
0.342
MAR-TRE-92684b97-9
0.342
MAR-TRE-8190bb11-1
0.342
MAR-TRE-799db12b-100
0.342
MAR-TRE-be9ff7d2-61
0.342
MAR-TRE-be9ff7d2-86
0.342
MAR-TRE-799db12b-73
0.342
MAR-TRE-66ac689e-27
0.342
MAR-TRE-9d18ae8c-99
0.342
MAR-TRE-e82e6c98-88
0.341
MAR-TRE-c317dd82-48
0.338
MAR-TRE-8190bb11-71
0.338
MAR-TRE-92684b97-27
0.338
MAR-TRE-4f781e27-86
0.338
MAR-TRE-92684b97-72
0.338
MAR-TRE-92684b97-88
0.338
MAR-TRE-9d18ae8c-67
0.338
MAR-TRE-be9ff7d2-64
0.338
MAR-TRE-66ac689e-36
0.337
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-a9136c7b-90
0.333
MAR-TRE-66ac689e-16
0.333
MAR-TRE-8190bb11-44
0.333
MAR-TRE-4f781e27-39
0.333
MAR-TRE-9d18ae8c-28
0.333
MAR-TRE-e82e6c98-57
0.333
MAR-TRE-66ac689e-42
0.333
MAR-TRE-66ac689e-57
0.333
MAR-TRE-8190bb11-28
0.333
MAR-TRE-8190bb11-75
0.333
MAR-TRE-4f781e27-68
0.333
MAR-TRE-92684b97-35
0.333
MAR-TRE-9d18ae8c-97
0.333
MAR-TRE-799db12b-8
0.329
MAR-TRE-799db12b-85
0.329
MAR-TRE-66ac689e-45
0.329
MAR-TRE-8190bb11-10
0.329