Molecular Properties | |
SMILES: | N#CC(c1ccccc1)N(O)c1cnc(CCl)[nH]1 |
MW: | 262.06 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 75.94 |
cLogP: | 2.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxygen-nitrogen single bond
Singel acyclic N-O bonds
Filter6_benzyl_halide
N-C-Hal or cyano methyl
acyclic NO not nitro
Alkyl Halide
Nitrosone_not_nitro
MAR-TRE-85681e92-75
0.500
MAR-TRE-87acfbcc-71
0.444
MAR-TRE-87acfbcc-39
0.406
MAR-TRE-87acfbcc-26
0.383
MAR-TRE-87acfbcc-96
0.380
MAR-TRE-87acfbcc-31
0.359
MAR-TRE-87acfbcc-50
0.348
MAR-TRE-87acfbcc-66
0.343
MAR-TRE-87acfbcc-17
0.338
MAR-TRE-87acfbcc-70
0.333
MAR-TRE-87acfbcc-69
0.333
MAR-TRE-87acfbcc-35
0.329
MAR-TRE-87acfbcc-92
0.328
MAR-TRE-87acfbcc-74
0.324
MAR-TRE-87acfbcc-95
0.324
MAR-TRE-87acfbcc-6
0.306
MAR-TRE-87acfbcc-3
0.305
MAR-TRE-87acfbcc-68
0.296
MAR-TRE-87acfbcc-77
0.295
MAR-TRE-87acfbcc-30
0.290
MAR-TRE-87acfbcc-23
0.284
MAR-TRE-87acfbcc-82
0.284
MAR-TRE-87acfbcc-27
0.284
MAR-TRE-87acfbcc-24
0.280
MAR-TRE-87acfbcc-64
0.280
MAR-TRE-6a44bbf2-92
0.274
MAR-TRE-87acfbcc-1
0.273
MAR-TRE-87acfbcc-41
0.261
MAR-TRE-87acfbcc-19
0.256
MAR-TRE-423310b6-62
0.256
MAR-TRE-87acfbcc-40
0.256
MAR-TRE-87acfbcc-91
0.254
MAR-TRE-87acfbcc-48
0.250
MAR-TRE-87acfbcc-49
0.250
MAR-TRE-87acfbcc-7
0.250
MAR-TRE-87acfbcc-20
0.250
MAR-TRE-87acfbcc-15
0.250
MAR-TRE-87acfbcc-28
0.250
MAR-TRE-87acfbcc-79
0.250
MAR-TRE-aca67d11-10
0.250
MAR-TRE-87acfbcc-87
0.247
MAR-TRE-87acfbcc-18
0.244
MAR-TRE-87acfbcc-63
0.244
MAR-TRE-87acfbcc-36
0.243
MAR-TRE-aca67d11-30
0.241
MAR-TRE-87acfbcc-21
0.240
MAR-TRE-87acfbcc-38
0.239
MAR-TRE-87acfbcc-51
0.237
MAR-TRE-87acfbcc-25
0.237
MAR-TRE-87acfbcc-16
0.237
MAR-TRE-87acfbcc-85
0.237
MAR-TRE-8190bb11-6
0.235
DAR-DIA-3e9bbd81-11
0.235
MAR-TRE-87acfbcc-53
0.235
MAR-TRE-87acfbcc-90
0.234
MAR-TRE-87acfbcc-58
0.234
MAR-TRE-87acfbcc-2
0.234
BEN-DND-93268d01-1
0.233
MAR-TRE-85681e92-49
0.233
BEN-DND-03406596-12
0.233
BEN-DND-03406596-11
0.233
BEN-DND-03406596-4
0.233
MAR-TRE-87acfbcc-5
0.232
MAR-TRE-87acfbcc-22
0.231
MAR-TRE-87acfbcc-9
0.231
MAR-TRE-87acfbcc-72
0.231
MAR-TRE-87acfbcc-67
0.231
MAR-TRE-87acfbcc-11
0.230
MAR-TRE-87acfbcc-47
0.230
MAR-TRE-87acfbcc-62
0.230
MAR-TRE-87acfbcc-12
0.229
MAR-TRE-8190bb11-48
0.228
MAR-TRE-87acfbcc-76
0.227
MAR-TRE-87acfbcc-75
0.226
MAR-TRE-87acfbcc-86
0.225
MAR-TRE-8190bb11-11
0.225
MAR-TRE-87acfbcc-42
0.225
MAR-TRE-87acfbcc-73
0.225
MAR-TRE-87acfbcc-46
0.224
MAR-TRE-87acfbcc-80
0.224
GIA-UNK-20b63697-7
0.221
MAR-TRE-87acfbcc-43
0.221
MAR-TRE-0fda4e82-25
0.221
MAR-TRE-87acfbcc-93
0.221
MAR-TRE-87acfbcc-99
0.220
MAR-TRE-87acfbcc-83
0.220
MAR-TRE-85681e92-35
0.219
MAR-TRE-87acfbcc-13
0.219
MAR-TRE-87acfbcc-29
0.218
MAR-TRE-0fda4e82-27
0.218
MAR-TRE-0fda4e82-37
0.218
MAR-TRE-87acfbcc-14
0.218
BAR-COM-0f94fc3d-7
0.217
MAR-TRE-9d18ae8c-91
0.217
MAK-UNK-30aad1f1-17
0.217
MAR-TRE-4f781e27-28
0.217
MAR-TRE-87acfbcc-59
0.217
MAR-TRE-87acfbcc-98
0.216
MAR-TRE-87acfbcc-4
0.216
MAR-TRE-87acfbcc-37
0.216