Molecular Properties | |
SMILES: | CCCCOC(=O)CCC(=O)Oc1csc(CCl)n1 |
MW: | 305.05 |
Fraction sp3: | 0.58 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 8 |
TPSA: | 65.49 |
cLogP: | 2.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Carboxylic acid esters
Filter6_benzyl_halide
aliphatic ester, not lactones
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-51
0.562
MAR-TRE-36bf7dba-67
0.507
MAR-TRE-36bf7dba-87
0.507
MAR-TRE-36bf7dba-99
0.477
MAR-TRE-36bf7dba-97
0.470
MAR-TRE-36bf7dba-76
0.466
MAR-TRE-36bf7dba-31
0.456
MAR-TRE-36bf7dba-53
0.456
MAR-TRE-36bf7dba-89
0.456
MAR-TRE-36bf7dba-91
0.455
MAR-TRE-36bf7dba-43
0.455
MAR-TRE-36bf7dba-90
0.455
MAR-TRE-36bf7dba-9
0.448
MAR-TRE-36bf7dba-41
0.443
MAR-TRE-36bf7dba-22
0.437
MAR-TRE-aca67d11-44
0.431
MAR-TRE-36bf7dba-14
0.431
MAR-TRE-36bf7dba-66
0.430
MAR-TRE-36bf7dba-56
0.419
MAR-TRE-36bf7dba-28
0.417
MAR-TRE-36bf7dba-4
0.414
MAR-TRE-36bf7dba-36
0.408
MAR-TRE-36bf7dba-47
0.408
MAR-TRE-36bf7dba-40
0.405
MAR-TRE-36bf7dba-44
0.403
MAR-TRE-36bf7dba-54
0.403
MAR-TRE-36bf7dba-82
0.402
MAR-TRE-36bf7dba-64
0.400
MAR-TRE-36bf7dba-23
0.400
MAR-TRE-36bf7dba-74
0.400
MAR-TRE-36bf7dba-84
0.395
MAR-TRE-36bf7dba-52
0.392
MAR-TRE-36bf7dba-37
0.387
MAR-TRE-36bf7dba-73
0.386
MAR-TRE-36bf7dba-1
0.384
MAR-TRE-36bf7dba-30
0.378
MAR-TRE-36bf7dba-48
0.371
MAR-TRE-36bf7dba-42
0.366
MAR-TRE-36bf7dba-75
0.357
MAR-TRE-36bf7dba-68
0.354
MAR-TRE-36bf7dba-69
0.347
MAR-TRE-36bf7dba-93
0.346
MAR-TRE-36bf7dba-78
0.346
MAR-TRE-36bf7dba-86
0.343
MAR-TRE-36bf7dba-2
0.343
MAR-TRE-36bf7dba-63
0.341
MAR-TRE-36bf7dba-39
0.333
MAR-TRE-36bf7dba-80
0.333
MAR-TRE-36bf7dba-81
0.333
MAR-TRE-36bf7dba-6
0.333
MAR-TRE-36bf7dba-19
0.329
MAR-TRE-36bf7dba-34
0.329
MAR-TRE-36bf7dba-20
0.329
MAR-TRE-36bf7dba-7
0.329
MAR-TRE-36bf7dba-12
0.324
MAR-TRE-36bf7dba-33
0.324
MAR-TRE-36bf7dba-62
0.320
MAR-TRE-36bf7dba-70
0.319
MAR-TRE-36bf7dba-25
0.316
MAR-TRE-36bf7dba-5
0.315
MAR-TRE-36bf7dba-11
0.313
MAR-TRE-36bf7dba-100
0.312
MAR-TRE-36bf7dba-60
0.312
MAR-TRE-36bf7dba-3
0.311
MAR-TRE-36bf7dba-79
0.311
MAR-TRE-36bf7dba-45
0.309
MAR-TRE-36bf7dba-8
0.307
MAR-TRE-36bf7dba-21
0.303
MAR-TRE-36bf7dba-50
0.303
MAR-TRE-36bf7dba-26
0.302
MAR-TRE-36bf7dba-71
0.301
MAR-TRE-36bf7dba-10
0.301
MAR-TRE-36bf7dba-83
0.300
MAR-TRE-36bf7dba-58
0.298
MAR-TRE-36bf7dba-57
0.296
MAR-TRE-36bf7dba-96
0.296
MAR-TRE-36bf7dba-72
0.296
MAR-TRE-36bf7dba-27
0.293
MAR-TRE-36bf7dba-29
0.293
MAR-TRE-36bf7dba-38
0.291
MAR-TRE-36bf7dba-49
0.288
MAR-TRE-36bf7dba-59
0.287
MAR-TRE-36bf7dba-88
0.286
MAR-TRE-36bf7dba-35
0.286
MAR-TRE-36bf7dba-85
0.286
MAR-TRE-36bf7dba-46
0.284
MAR-TRE-36bf7dba-98
0.280
MAR-TRE-36bf7dba-65
0.279
MAR-TRE-36bf7dba-15
0.277
MAR-TRE-36bf7dba-55
0.277
MAR-TRE-36bf7dba-94
0.277
MAR-TRE-aca67d11-47
0.260
MAR-TRE-36bf7dba-92
0.256
MAR-TRE-36bf7dba-24
0.250
MAR-TRE-a78003aa-97
0.247
MAR-TRE-85681e92-84
0.241
MAR-TRE-8a25d817-39
0.241
MAR-TRE-36bf7dba-77
0.240
MAR-TRE-36bf7dba-32
0.239
MAR-TRE-36bf7dba-13
0.238