Molecular Properties | |
SMILES: | CCCCC(C(=O)O)C(=O)Oc1csc(CCl)n1 |
MW: | 291.03 |
Fraction sp3: | 0.55 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 76.49 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-23
0.610
MAR-TRE-36bf7dba-90
0.576
MAR-TRE-36bf7dba-56
0.522
MAR-TRE-36bf7dba-1
0.508
MAR-TRE-36bf7dba-95
0.507
MAR-TRE-36bf7dba-30
0.500
MAR-TRE-36bf7dba-36
0.492
MAR-TRE-36bf7dba-37
0.485
MAR-TRE-36bf7dba-14
0.471
MAR-TRE-36bf7dba-47
0.465
MAR-TRE-36bf7dba-22
0.456
MAR-TRE-36bf7dba-99
0.453
MAR-TRE-36bf7dba-76
0.444
MAR-TRE-36bf7dba-68
0.444
MAR-TRE-36bf7dba-89
0.433
MAR-TRE-36bf7dba-4
0.433
MAR-TRE-36bf7dba-43
0.431
MAR-TRE-36bf7dba-91
0.431
MAR-TRE-36bf7dba-51
0.426
MAR-TRE-36bf7dba-69
0.424
MAR-TRE-36bf7dba-97
0.424
MAR-TRE-36bf7dba-9
0.424
MAR-TRE-36bf7dba-87
0.420
MAR-TRE-36bf7dba-34
0.420
MAR-TRE-36bf7dba-41
0.420
MAR-TRE-36bf7dba-31
0.412
MAR-TRE-36bf7dba-53
0.412
MAR-TRE-36bf7dba-48
0.409
MAR-TRE-36bf7dba-78
0.395
MAR-TRE-36bf7dba-44
0.382
MAR-TRE-36bf7dba-54
0.382
MAR-TRE-36bf7dba-28
0.375
MAR-TRE-36bf7dba-52
0.372
MAR-TRE-36bf7dba-40
0.365
MAR-TRE-36bf7dba-35
0.364
MAR-TRE-36bf7dba-71
0.364
MAR-TRE-36bf7dba-93
0.360
MAR-TRE-36bf7dba-64
0.360
MAR-TRE-36bf7dba-74
0.360
MAR-TRE-36bf7dba-26
0.356
MAR-TRE-36bf7dba-29
0.355
MAR-TRE-36bf7dba-84
0.355
MAR-TRE-36bf7dba-21
0.355
MAR-TRE-36bf7dba-63
0.354
MAR-TRE-36bf7dba-62
0.352
MAR-TRE-36bf7dba-82
0.349
MAR-TRE-36bf7dba-81
0.348
MAR-TRE-36bf7dba-27
0.344
MAR-TRE-aca67d11-54
0.343
MAR-TRE-36bf7dba-66
0.341
MAR-TRE-36bf7dba-12
0.338
MAR-TRE-36bf7dba-50
0.333
MAR-TRE-36bf7dba-42
0.329
MAR-TRE-36bf7dba-88
0.329
MAR-TRE-36bf7dba-39
0.329
MAR-TRE-36bf7dba-58
0.325
MAR-TRE-36bf7dba-11
0.325
MAR-TRE-36bf7dba-57
0.325
MAR-TRE-36bf7dba-98
0.325
MAR-TRE-36bf7dba-60
0.324
MAR-TRE-36bf7dba-79
0.324
MAR-TRE-36bf7dba-75
0.321
MAR-TRE-36bf7dba-65
0.321
MAR-TRE-36bf7dba-55
0.321
MAR-TRE-36bf7dba-2
0.319
MAR-TRE-36bf7dba-49
0.319
MAR-TRE-36bf7dba-86
0.319
MAR-TRE-36bf7dba-59
0.316
MAR-TRE-36bf7dba-80
0.311
MAR-TRE-36bf7dba-5
0.310
MAR-TRE-36bf7dba-92
0.310
MAR-TRE-36bf7dba-6
0.309
MAR-TRE-36bf7dba-73
0.308
MAR-TRE-36bf7dba-19
0.307
MAR-TRE-36bf7dba-7
0.304
MAR-TRE-36bf7dba-94
0.304
MAR-TRE-36bf7dba-33
0.301
MAR-TRE-36bf7dba-38
0.301
MAR-TRE-36bf7dba-10
0.296
MAR-TRE-36bf7dba-70
0.296
MAR-TRE-36bf7dba-72
0.291
MAR-TRE-36bf7dba-100
0.289
MAR-TRE-87acfbcc-21
0.288
MAR-TRE-36bf7dba-3
0.288
MAR-TRE-36bf7dba-20
0.288
MAR-TRE-36bf7dba-45
0.287
MAR-TRE-36bf7dba-8
0.284
MAR-TRE-36bf7dba-85
0.280
MAR-TRE-36bf7dba-25
0.278
MAR-TRE-36bf7dba-83
0.278
MAR-TRE-8a25d817-58
0.278
MAR-TRE-36bf7dba-96
0.275
MAR-TRE-36bf7dba-15
0.272
MAR-TRE-36bf7dba-46
0.264
MAR-TRE-87acfbcc-22
0.260
MAR-TRE-8a25d817-61
0.250
MAR-TRE-36bf7dba-32
0.247
MAR-TRE-87acfbcc-20
0.247
MAR-TRE-36bf7dba-24
0.245
MAR-TRE-87acfbcc-65
0.241