Molecular Properties | |
SMILES: | O=C(O)CC(C(=O)Oc1csc(CCl)n1)C1CCCCC1 |
MW: | 331.06 |
Fraction sp3: | 0.64 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 76.49 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Alkyl Halide
MAR-TRE-36bf7dba-90
0.478
MAR-TRE-36bf7dba-36
0.471
MAR-TRE-36bf7dba-23
0.464
MAR-TRE-36bf7dba-67
0.444
MAR-TRE-36bf7dba-1
0.444
MAR-TRE-36bf7dba-56
0.440
MAR-TRE-36bf7dba-30
0.438
MAR-TRE-36bf7dba-43
0.435
MAR-TRE-36bf7dba-37
0.427
MAR-TRE-36bf7dba-41
0.425
MAR-TRE-36bf7dba-31
0.417
MAR-TRE-36bf7dba-91
0.414
MAR-TRE-36bf7dba-99
0.414
MAR-TRE-36bf7dba-14
0.413
MAR-TRE-36bf7dba-9
0.408
MAR-TRE-36bf7dba-69
0.408
MAR-TRE-36bf7dba-97
0.408
MAR-TRE-36bf7dba-22
0.400
MAR-TRE-36bf7dba-53
0.397
MAR-TRE-36bf7dba-89
0.397
MAR-TRE-36bf7dba-4
0.397
MAR-TRE-36bf7dba-76
0.392
MAR-TRE-36bf7dba-47
0.392
MAR-TRE-36bf7dba-87
0.387
MAR-TRE-36bf7dba-48
0.375
MAR-TRE-36bf7dba-81
0.356
MAR-TRE-36bf7dba-51
0.355
MAR-TRE-36bf7dba-95
0.354
MAR-TRE-36bf7dba-34
0.351
MAR-TRE-36bf7dba-64
0.350
MAR-TRE-36bf7dba-78
0.349
MAR-TRE-36bf7dba-26
0.347
MAR-TRE-36bf7dba-12
0.347
MAR-TRE-36bf7dba-28
0.346
MAR-TRE-36bf7dba-29
0.346
MAR-TRE-36bf7dba-63
0.345
MAR-TRE-36bf7dba-62
0.342
MAR-TRE-36bf7dba-40
0.338
MAR-TRE-36bf7dba-71
0.337
MAR-TRE-36bf7dba-54
0.337
MAR-TRE-36bf7dba-44
0.337
MAR-TRE-36bf7dba-27
0.337
MAR-TRE-36bf7dba-21
0.333
MAR-TRE-36bf7dba-74
0.333
MAR-TRE-36bf7dba-52
0.329
MAR-TRE-36bf7dba-84
0.329
MAR-TRE-36bf7dba-42
0.322
MAR-TRE-36bf7dba-98
0.317
MAR-TRE-36bf7dba-93
0.317
MAR-TRE-36bf7dba-73
0.316
MAR-TRE-36bf7dba-75
0.315
MAR-TRE-36bf7dba-49
0.311
MAR-TRE-36bf7dba-77
0.309
MAR-TRE-36bf7dba-13
0.306
MAR-TRE-36bf7dba-35
0.306
MAR-TRE-36bf7dba-66
0.303
MAR-TRE-36bf7dba-11
0.302
MAR-TRE-36bf7dba-19
0.300
MAR-TRE-36bf7dba-60
0.300
MAR-TRE-36bf7dba-65
0.299
MAR-TRE-36bf7dba-82
0.297
MAR-TRE-36bf7dba-24
0.295
MAR-TRE-36bf7dba-59
0.293
MAR-TRE-36bf7dba-88
0.291
MAR-TRE-36bf7dba-85
0.291
MAR-TRE-36bf7dba-18
0.289
MAR-TRE-36bf7dba-80
0.287
MAR-TRE-36bf7dba-57
0.286
MAR-TRE-36bf7dba-6
0.284
MAR-TRE-36bf7dba-17
0.283
MAR-TRE-36bf7dba-94
0.282
MAR-TRE-36bf7dba-55
0.282
MAR-TRE-36bf7dba-79
0.282
MAR-TRE-36bf7dba-38
0.281
MAR-TRE-36bf7dba-7
0.280
MAR-TRE-36bf7dba-33
0.278
MAR-TRE-36bf7dba-2
0.276
MAR-TRE-36bf7dba-86
0.276
MAR-TRE-36bf7dba-10
0.276
MAR-TRE-36bf7dba-39
0.276
MAR-TRE-36bf7dba-50
0.275
MAR-TRE-36bf7dba-92
0.275
MAR-TRE-36bf7dba-32
0.273
MAR-TRE-36bf7dba-58
0.273
MAR-TRE-36bf7dba-70
0.273
MAR-TRE-36bf7dba-96
0.271
MAR-TRE-36bf7dba-5
0.269
MAR-TRE-36bf7dba-100
0.268
MAR-TRE-36bf7dba-16
0.267
MAR-TRE-36bf7dba-20
0.266
MAR-TRE-36bf7dba-8
0.263
MAR-TRE-36bf7dba-61
0.260
MAR-TRE-36bf7dba-72
0.256
MAR-TRE-8a25d817-38
0.253
MAR-TRE-36bf7dba-15
0.253
MAR-TRE-36bf7dba-45
0.253
MAR-TRE-36bf7dba-3
0.250
MAR-TRE-36bf7dba-46
0.247
GIA-UNK-20b63697-6
0.247
MAR-TRE-36bf7dba-25
0.244