Molecular Properties | |
SMILES: | NCCNCCNCCNc1cnc(CCl)[nH]1 |
MW: | 260.15 |
Fraction sp3: | 0.7 |
HBA: | 5 |
HBD: | 5 |
Rotatable Bonds: | 10 |
TPSA: | 90.79 |
cLogP: | -0.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Filter6_benzyl_halide
Long aliphatic chain
Unbranched chain
Alkyl Halide
MAR-TRE-87acfbcc-89
0.585
MAR-TRE-87acfbcc-90
0.553
MAR-TRE-87acfbcc-4
0.474
MAR-TRE-87acfbcc-55
0.448
MAR-TRE-87acfbcc-44
0.438
MAR-TRE-87acfbcc-58
0.435
MAR-TRE-87acfbcc-61
0.424
MAR-TRE-87acfbcc-98
0.424
MAR-TRE-423310b6-33
0.417
MAR-TRE-87acfbcc-54
0.413
MAR-TRE-87acfbcc-86
0.397
MAR-TRE-87acfbcc-76
0.387
MAR-TRE-87acfbcc-49
0.377
MAR-TRE-87acfbcc-62
0.371
MAR-TRE-87acfbcc-33
0.365
MAR-TRE-87acfbcc-81
0.361
MAR-TRE-87acfbcc-93
0.354
MAR-TRE-87acfbcc-34
0.353
MAR-TRE-87acfbcc-73
0.353
MAR-TRE-87acfbcc-32
0.348
MAR-TRE-87acfbcc-12
0.333
MAR-TRE-87acfbcc-7
0.333
MAR-TRE-87acfbcc-94
0.329
MAR-TRE-87acfbcc-11
0.328
MAR-TRE-87acfbcc-41
0.328
MAR-TRE-87acfbcc-53
0.324
MAR-TRE-87acfbcc-70
0.323
MAR-TRE-87acfbcc-38
0.323
MAR-TRE-87acfbcc-21
0.318
MAR-TRE-87acfbcc-91
0.317
MAR-TRE-87acfbcc-13
0.317
MAR-TRE-87acfbcc-79
0.317
MAR-TRE-87acfbcc-15
0.312
MAR-TRE-87acfbcc-20
0.312
MAR-TRE-87acfbcc-37
0.312
MAR-TRE-87acfbcc-14
0.309
MAR-TRE-87acfbcc-36
0.306
MAR-TRE-87acfbcc-22
0.304
MAR-TRE-87acfbcc-63
0.300
MAR-TRE-87acfbcc-10
0.300
MAR-TRE-87acfbcc-16
0.294
MAR-TRE-87acfbcc-48
0.292
MAR-TRE-87acfbcc-25
0.292
MAR-TRE-87acfbcc-51
0.292
MAR-TRE-87acfbcc-97
0.292
MAR-TRE-87acfbcc-2
0.290
MAR-TRE-87acfbcc-23
0.289
MAR-TRE-87acfbcc-47
0.288
MAR-TRE-423310b6-86
0.288
MAR-TRE-87acfbcc-71
0.288
MAR-TRE-87acfbcc-8
0.288
MAR-TRE-87acfbcc-99
0.288
MAR-TRE-87acfbcc-67
0.286
MAR-TRE-87acfbcc-87
0.286
MAR-TRE-87acfbcc-9
0.286
MAR-TRE-87acfbcc-100
0.284
MAR-TRE-87acfbcc-46
0.279
MAR-TRE-87acfbcc-50
0.279
MAR-TRE-87acfbcc-65
0.278
MAR-TRE-87acfbcc-19
0.278
MAR-TRE-87acfbcc-95
0.278
MAR-TRE-87acfbcc-28
0.271
MAR-TRE-87acfbcc-64
0.268
MAR-TRE-87acfbcc-72
0.268
MAR-TRE-87acfbcc-5
0.267
MAR-TRE-87acfbcc-59
0.267
MAR-TRE-87acfbcc-35
0.264
MAR-TRE-87acfbcc-42
0.260
MAR-TRE-87acfbcc-30
0.258
MAR-TRE-87acfbcc-6
0.257
MAR-TRE-87acfbcc-83
0.253
MAR-TRE-87acfbcc-68
0.246
MAR-TRE-87acfbcc-74
0.243
MAR-TRE-87acfbcc-69
0.242
MAR-TRE-87acfbcc-26
0.242
MAR-TRE-87acfbcc-85
0.239
MAR-TRE-87acfbcc-92
0.239
MAR-TRE-87acfbcc-27
0.236
MAR-TRE-87acfbcc-29
0.235
MAR-TRE-423310b6-81
0.232
MAR-TRE-87acfbcc-56
0.232
MAR-TRE-87acfbcc-3
0.232
MAR-TRE-87acfbcc-88
0.225
MAR-TRE-87acfbcc-43
0.222
MAR-TRE-87acfbcc-57
0.219
MAR-TRE-87acfbcc-82
0.219
MAR-TRE-87acfbcc-24
0.216
MAR-TRE-87acfbcc-52
0.216
MAR-TRE-87acfbcc-40
0.214
MAR-TRE-423310b6-93
0.213
MAR-TRE-87acfbcc-80
0.208
MAR-TRE-36bf7dba-20
0.208
MAR-TRE-87acfbcc-66
0.205
MAR-TRE-87acfbcc-78
0.205
MAR-TRE-87acfbcc-1
0.205
MAR-TRE-87acfbcc-77
0.203
MAR-TRE-87acfbcc-17
0.198
MAR-TRE-87acfbcc-60
0.197
MAR-TRE-87acfbcc-39
0.197
MAR-TRE-423310b6-69
0.197