Molecular Properties | |
SMILES: | CCNCCCCN(CC)c1cnc(CCl)[nH]1 |
MW: | 258.16 |
Fraction sp3: | 0.75 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 43.95 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Filter6_benzyl_halide
Long aliphatic chain
Unbranched chain
Alkyl Halide
MAR-TRE-87acfbcc-26
0.407
MAR-TRE-87acfbcc-74
0.400
MAR-TRE-87acfbcc-96
0.380
MAR-TRE-87acfbcc-68
0.353
MAR-TRE-87acfbcc-30
0.348
MAR-TRE-87acfbcc-39
0.347
MAR-TRE-87acfbcc-31
0.342
MAR-TRE-87acfbcc-17
0.338
MAR-TRE-87acfbcc-92
0.328
MAR-TRE-87acfbcc-27
0.319
MAR-TRE-87acfbcc-69
0.313
MAR-TRE-87acfbcc-6
0.306
MAR-TRE-87acfbcc-82
0.301
MAR-TRE-87acfbcc-40
0.301
MAR-TRE-87acfbcc-24
0.297
MAR-TRE-87acfbcc-66
0.288
MAR-TRE-87acfbcc-23
0.284
MAR-TRE-87acfbcc-52
0.280
MAR-TRE-87acfbcc-77
0.278
MAR-TRE-87acfbcc-90
0.274
MAR-TRE-87acfbcc-21
0.274
MAR-TRE-87acfbcc-45
0.268
MAR-TRE-87acfbcc-89
0.268
MAR-TRE-87acfbcc-20
0.268
MAR-TRE-87acfbcc-12
0.265
MAR-TRE-87acfbcc-41
0.261
MAR-TRE-87acfbcc-13
0.254
MAR-TRE-87acfbcc-15
0.250
MAR-TRE-87acfbcc-37
0.250
MAR-TRE-87acfbcc-79
0.250
MAR-TRE-87acfbcc-48
0.250
MAR-TRE-87acfbcc-55
0.250
MAR-TRE-87acfbcc-58
0.250
MAR-TRE-87acfbcc-9
0.247
MAR-TRE-87acfbcc-22
0.247
MAR-TRE-87acfbcc-47
0.247
MAR-TRE-87acfbcc-1
0.244
MAR-TRE-87acfbcc-36
0.243
MAR-TRE-87acfbcc-86
0.243
MAR-TRE-87acfbcc-38
0.239
MAR-TRE-87acfbcc-70
0.239
MAR-TRE-87acfbcc-53
0.235
MAR-TRE-87acfbcc-98
0.233
MAR-TRE-87acfbcc-4
0.233
MAR-TRE-87acfbcc-7
0.233
MAR-TRE-87acfbcc-67
0.231
MAR-TRE-87acfbcc-3
0.230
MAR-TRE-87acfbcc-11
0.230
MAR-TRE-87acfbcc-8
0.230
MAR-TRE-87acfbcc-71
0.230
MAR-TRE-87acfbcc-10
0.228
MAR-TRE-87acfbcc-76
0.227
MAR-TRE-87acfbcc-25
0.222
MAR-TRE-87acfbcc-97
0.222
MAR-TRE-87acfbcc-16
0.221
MAR-TRE-87acfbcc-91
0.219
MAR-TRE-87acfbcc-28
0.218
MAR-TRE-87acfbcc-2
0.218
MAR-TRE-87acfbcc-32
0.218
MAR-TRE-87acfbcc-54
0.218
MAR-TRE-87acfbcc-14
0.218
MAR-TRE-87acfbcc-5
0.217
MAR-TRE-87acfbcc-49
0.216
MAR-TRE-87acfbcc-87
0.215
MAR-TRE-87acfbcc-72
0.215
MAR-TRE-87acfbcc-62
0.213
MAR-TRE-87acfbcc-35
0.212
MAR-TRE-87acfbcc-33
0.211
MAR-TRE-87acfbcc-100
0.211
MAR-TRE-87acfbcc-34
0.210
MAR-TRE-87acfbcc-95
0.210
MAR-TRE-87acfbcc-44
0.210
MAR-TRE-87acfbcc-81
0.209
MED-COV-4280ac29-34
0.208
MAR-TRE-87acfbcc-50
0.208
MAR-TRE-87acfbcc-46
0.208
MAR-TRE-87acfbcc-94
0.207
DAR-DIA-fb20be43-4
0.207
PAU-UNI-52c0427f-1
0.207
BRU-LEF-ae0885ba-1
0.207
MAR-TRE-87acfbcc-85
0.205
MAR-TRE-87acfbcc-43
0.205
MAR-TRE-87acfbcc-93
0.205
MAR-TRE-87acfbcc-83
0.205
MAR-TRE-87acfbcc-61
0.205
MAR-TRE-87acfbcc-99
0.205
MAR-TRE-87acfbcc-29
0.205
MAR-TRE-87acfbcc-57
0.203
MAR-TRE-87acfbcc-59
0.202
MAR-TRE-87acfbcc-65
0.202
MAR-TRE-87acfbcc-75
0.198
MAR-TRE-87acfbcc-60
0.198
MAR-TRE-87acfbcc-63
0.198
MAR-TRE-87acfbcc-56
0.197
MAR-TRE-87acfbcc-84
0.196
MAR-TRE-87acfbcc-19
0.195
MAR-TRE-87acfbcc-73
0.195
MAR-TRE-87acfbcc-51
0.193
MAR-TRE-87acfbcc-80
0.192
MAR-TRE-87acfbcc-88
0.192