Molecular Properties | |
SMILES: | O=C(O)CCCCCCCNc1cnc(CCl)[nH]1 |
MW: | 273.12 |
Fraction sp3: | 0.67 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 78.01 |
cLogP: | 2.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
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-89
0.648
MAR-TRE-87acfbcc-90
0.529
MAR-TRE-87acfbcc-55
0.508
MAR-TRE-87acfbcc-62
0.500
MAR-TRE-423310b6-32
0.462
MAR-TRE-87acfbcc-49
0.459
MAR-TRE-87acfbcc-61
0.456
MAR-TRE-423310b6-60
0.446
MAR-TRE-87acfbcc-4
0.435
MAR-TRE-87acfbcc-45
0.435
MAR-TRE-87acfbcc-86
0.433
MAR-TRE-87acfbcc-54
0.424
MAR-TRE-423310b6-94
0.409
MAR-TRE-87acfbcc-32
0.403
MAR-TRE-87acfbcc-46
0.394
MAR-TRE-87acfbcc-44
0.386
MAR-TRE-87acfbcc-79
0.377
MAR-TRE-87acfbcc-81
0.373
MAR-TRE-87acfbcc-12
0.371
MAR-TRE-87acfbcc-7
0.369
MAR-TRE-87acfbcc-36
0.365
MAR-TRE-87acfbcc-41
0.365
MAR-TRE-87acfbcc-25
0.361
MAR-TRE-87acfbcc-38
0.359
MAR-TRE-87acfbcc-33
0.358
MAR-TRE-87acfbcc-22
0.357
MAR-TRE-87acfbcc-53
0.356
MAR-TRE-87acfbcc-91
0.354
MAR-TRE-87acfbcc-13
0.354
MAR-TRE-87acfbcc-21
0.353
MAR-TRE-87acfbcc-63
0.352
MAR-TRE-87acfbcc-20
0.348
MAR-TRE-87acfbcc-15
0.348
MAR-TRE-87acfbcc-98
0.348
MAR-TRE-87acfbcc-93
0.348
MAR-TRE-87acfbcc-47
0.343
MAR-TRE-87acfbcc-2
0.343
MAR-TRE-87acfbcc-76
0.338
MAR-TRE-87acfbcc-9
0.338
MAR-TRE-87acfbcc-67
0.338
MAR-TRE-87acfbcc-50
0.333
MAR-TRE-87acfbcc-73
0.329
MAR-TRE-87acfbcc-34
0.329
MAR-TRE-87acfbcc-16
0.329
MAR-TRE-87acfbcc-37
0.328
MAR-TRE-87acfbcc-48
0.328
MAR-TRE-87acfbcc-94
0.324
MAR-TRE-87acfbcc-28
0.324
MAR-TRE-87acfbcc-11
0.324
MAR-TRE-87acfbcc-26
0.323
MAR-TRE-87acfbcc-87
0.319
MAR-TRE-87acfbcc-35
0.315
MAR-TRE-87acfbcc-10
0.315
MAR-TRE-87acfbcc-95
0.311
MAR-TRE-87acfbcc-74
0.311
MAR-TRE-87acfbcc-19
0.311
MAR-TRE-87acfbcc-51
0.307
MAR-TRE-87acfbcc-99
0.303
MAR-TRE-87acfbcc-100
0.300
MAR-TRE-87acfbcc-5
0.299
MAR-TRE-87acfbcc-59
0.299
MAR-TRE-87acfbcc-69
0.299
MAR-TRE-87acfbcc-65
0.293
MAR-TRE-87acfbcc-6
0.292
MAR-TRE-87acfbcc-97
0.289
MAR-TRE-87acfbcc-14
0.288
MAR-TRE-87acfbcc-8
0.286
MAR-TRE-87acfbcc-71
0.286
MAR-TRE-87acfbcc-29
0.280
MAR-TRE-87acfbcc-70
0.279
MAR-TRE-87acfbcc-3
0.277
MAR-TRE-87acfbcc-85
0.274
MAR-TRE-87acfbcc-72
0.267
MAR-TRE-423310b6-89
0.265
MAR-TRE-87acfbcc-68
0.264
MAR-TRE-87acfbcc-39
0.263
MAR-TRE-87acfbcc-42
0.260
MAR-TRE-87acfbcc-92
0.257
MAR-TRE-87acfbcc-27
0.253
MAR-TRE-87acfbcc-83
0.253
MAR-TRE-87acfbcc-77
0.250
MAR-TRE-87acfbcc-24
0.250
MAR-TRE-423310b6-81
0.250
MAR-TRE-87acfbcc-64
0.250
MAR-TRE-87acfbcc-1
0.247
MAR-TRE-3159af1a-23
0.244
MAR-TRE-423310b6-41
0.244
MAR-TRE-8a25d817-77
0.243
MAR-TRE-87acfbcc-23
0.241
MAR-TRE-87acfbcc-30
0.239
MAR-TRE-87acfbcc-82
0.237
MAR-TRE-87acfbcc-52
0.234
MAR-TRE-423310b6-85
0.234
MAR-TRE-423310b6-13
0.234
MAR-TRE-87acfbcc-56
0.233
MAR-TRE-423310b6-71
0.233
MAR-TRE-423310b6-40
0.230
MAR-TRE-423310b6-24
0.227
MAR-TRE-87acfbcc-84
0.225
MAR-TRE-87acfbcc-66
0.224