Molecular Properties | |
SMILES: | NCCCCCCCCNc1cnc(CCl)[nH]1 |
MW: | 258.16 |
Fraction sp3: | 0.75 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 66.73 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
gte_8_CF2_or_CH2
Aliphatic long chain
I1 Aliphatic methylene chains 7 or more long
Filter6_benzyl_halide
long aliphatic chain, 6+
long chain hydrocarbon
Long aliphatic chain
Unbranched chain
Alkyl Halide
MAR-TRE-87acfbcc-58
0.648
MAR-TRE-87acfbcc-90
0.587
MAR-TRE-87acfbcc-45
0.585
MAR-TRE-87acfbcc-55
0.500
MAR-TRE-87acfbcc-4
0.474
MAR-TRE-87acfbcc-61
0.446
MAR-TRE-87acfbcc-98
0.424
MAR-TRE-423310b6-81
0.417
MAR-TRE-87acfbcc-44
0.415
MAR-TRE-87acfbcc-54
0.413
MAR-TRE-87acfbcc-86
0.397
MAR-TRE-87acfbcc-49
0.377
MAR-TRE-87acfbcc-62
0.371
MAR-TRE-87acfbcc-76
0.365
MAR-TRE-87acfbcc-33
0.365
MAR-TRE-87acfbcc-81
0.361
MAR-TRE-87acfbcc-93
0.354
MAR-TRE-87acfbcc-73
0.353
MAR-TRE-87acfbcc-32
0.348
MAR-TRE-87acfbcc-94
0.348
MAR-TRE-87acfbcc-37
0.333
MAR-TRE-87acfbcc-34
0.333
MAR-TRE-87acfbcc-12
0.333
MAR-TRE-87acfbcc-53
0.324
MAR-TRE-87acfbcc-38
0.323
MAR-TRE-87acfbcc-70
0.323
MAR-TRE-87acfbcc-13
0.317
MAR-TRE-87acfbcc-79
0.317
MAR-TRE-87acfbcc-7
0.312
MAR-TRE-87acfbcc-14
0.309
MAR-TRE-87acfbcc-11
0.308
MAR-TRE-87acfbcc-36
0.306
MAR-TRE-87acfbcc-41
0.306
MAR-TRE-87acfbcc-22
0.304
MAR-TRE-87acfbcc-10
0.300
MAR-TRE-87acfbcc-21
0.299
MAR-TRE-87acfbcc-91
0.297
MAR-TRE-87acfbcc-20
0.292
MAR-TRE-87acfbcc-15
0.292
MAR-TRE-87acfbcc-48
0.292
MAR-TRE-87acfbcc-25
0.292
MAR-TRE-87acfbcc-23
0.289
MAR-TRE-87acfbcc-8
0.288
MAR-TRE-87acfbcc-47
0.288
MAR-TRE-87acfbcc-71
0.288
MAR-TRE-87acfbcc-100
0.284
MAR-TRE-87acfbcc-46
0.279
MAR-TRE-87acfbcc-50
0.279
MAR-TRE-87acfbcc-19
0.278
MAR-TRE-87acfbcc-95
0.278
MAR-TRE-87acfbcc-16
0.275
MAR-TRE-87acfbcc-51
0.274
MAR-TRE-87acfbcc-97
0.274
MAR-TRE-87acfbcc-2
0.271
MAR-TRE-87acfbcc-28
0.271
MAR-TRE-87acfbcc-99
0.270
MAR-TRE-87acfbcc-67
0.268
MAR-TRE-87acfbcc-9
0.268
MAR-TRE-87acfbcc-64
0.268
MAR-TRE-87acfbcc-87
0.268
MAR-TRE-87acfbcc-72
0.268
MAR-TRE-87acfbcc-35
0.264
MAR-TRE-87acfbcc-63
0.264
MAR-TRE-87acfbcc-65
0.263
MAR-TRE-87acfbcc-26
0.262
MAR-TRE-87acfbcc-6
0.257
MAR-TRE-87acfbcc-83
0.253
MAR-TRE-423310b6-32
0.250
MAR-TRE-87acfbcc-5
0.250
MAR-TRE-87acfbcc-59
0.250
MAR-TRE-87acfbcc-29
0.250
MAR-TRE-87acfbcc-42
0.243
MAR-TRE-87acfbcc-69
0.242
MAR-TRE-87acfbcc-85
0.239
MAR-TRE-87acfbcc-30
0.239
MAR-TRE-87acfbcc-92
0.239
MAR-TRE-87acfbcc-82
0.236
MAR-TRE-87acfbcc-27
0.236
MAR-TRE-423310b6-60
0.236
MAR-TRE-87acfbcc-56
0.232
MAR-TRE-423310b6-33
0.232
MAR-TRE-423310b6-86
0.232
MAR-TRE-87acfbcc-3
0.232
MAR-TRE-423310b6-93
0.230
MAR-TRE-87acfbcc-68
0.229
MAR-TRE-87acfbcc-74
0.227
MAR-TRE-87acfbcc-88
0.225
MAR-TRE-423310b6-94
0.222
MAR-TRE-87acfbcc-66
0.222
MAR-TRE-87acfbcc-43
0.222
MAR-TRE-87acfbcc-57
0.219
MAR-TRE-87acfbcc-24
0.216
MAR-TRE-87acfbcc-52
0.216
MAR-TRE-423310b6-59
0.211
MAR-TRE-423310b6-41
0.211
MAR-TRE-87acfbcc-84
0.209
MAR-TRE-87acfbcc-80
0.208
MAR-TRE-87acfbcc-78
0.205
MAR-TRE-87acfbcc-1
0.205
MAR-TRE-87acfbcc-18
0.205