Molecular Properties | |
SMILES: | CC(=O)OCC(COC(C)=O)Oc1csc(CCl)n1 |
MW: | 307.03 |
Fraction sp3: | 0.55 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 74.72 |
cLogP: | 1.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
aliphatic ester, not lactones
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-34
0.525
MAR-TRE-36bf7dba-69
0.459
MAR-TRE-36bf7dba-90
0.443
MAR-TRE-36bf7dba-79
0.435
MAR-TRE-36bf7dba-71
0.429
MAR-TRE-36bf7dba-62
0.422
MAR-TRE-36bf7dba-36
0.415
MAR-TRE-36bf7dba-67
0.409
MAR-TRE-36bf7dba-41
0.409
MAR-TRE-36bf7dba-23
0.406
MAR-TRE-36bf7dba-93
0.406
MAR-TRE-36bf7dba-22
0.403
MAR-TRE-36bf7dba-78
0.403
MAR-TRE-36bf7dba-89
0.400
MAR-TRE-36bf7dba-59
0.397
MAR-TRE-36bf7dba-91
0.397
MAR-TRE-36bf7dba-43
0.397
MAR-TRE-36bf7dba-51
0.394
MAR-TRE-36bf7dba-35
0.389
MAR-TRE-36bf7dba-1
0.388
MAR-TRE-36bf7dba-56
0.386
MAR-TRE-36bf7dba-57
0.386
MAR-TRE-36bf7dba-58
0.384
MAR-TRE-36bf7dba-30
0.382
MAR-TRE-36bf7dba-55
0.380
MAR-TRE-36bf7dba-53
0.379
MAR-TRE-36bf7dba-14
0.377
MAR-TRE-36bf7dba-81
0.375
MAR-TRE-36bf7dba-99
0.375
MAR-TRE-36bf7dba-47
0.375
MAR-TRE-36bf7dba-68
0.375
MAR-TRE-36bf7dba-37
0.371
MAR-TRE-36bf7dba-95
0.371
MAR-TRE-36bf7dba-88
0.370
MAR-TRE-36bf7dba-9
0.369
MAR-TRE-36bf7dba-97
0.369
MAR-TRE-36bf7dba-60
0.368
MAR-TRE-36bf7dba-12
0.364
MAR-TRE-36bf7dba-92
0.364
MAR-TRE-36bf7dba-65
0.360
MAR-TRE-36bf7dba-4
0.358
MAR-TRE-36bf7dba-31
0.358
MAR-TRE-36bf7dba-76
0.356
MAR-TRE-36bf7dba-19
0.348
MAR-TRE-36bf7dba-87
0.348
MAR-TRE-36bf7dba-49
0.344
MAR-TRE-36bf7dba-28
0.343
MAR-TRE-36bf7dba-29
0.342
MAR-TRE-36bf7dba-52
0.342
MAR-TRE-36bf7dba-63
0.342
MAR-TRE-36bf7dba-50
0.338
MAR-TRE-36bf7dba-39
0.333
MAR-TRE-36bf7dba-6
0.333
MAR-TRE-36bf7dba-44
0.333
MAR-TRE-36bf7dba-40
0.333
MAR-TRE-36bf7dba-54
0.333
MAR-TRE-36bf7dba-11
0.329
MAR-TRE-36bf7dba-64
0.329
MAR-TRE-36bf7dba-98
0.329
MAR-TRE-36bf7dba-74
0.329
MAR-TRE-36bf7dba-7
0.328
MAR-TRE-36bf7dba-84
0.324
MAR-TRE-36bf7dba-94
0.324
MAR-TRE-36bf7dba-2
0.323
MAR-TRE-36bf7dba-86
0.323
MAR-TRE-36bf7dba-70
0.318
MAR-TRE-36bf7dba-42
0.316
MAR-TRE-36bf7dba-85
0.316
MAR-TRE-36bf7dba-80
0.314
MAR-TRE-36bf7dba-5
0.313
MAR-TRE-36bf7dba-3
0.309
MAR-TRE-36bf7dba-20
0.309
MAR-TRE-36bf7dba-45
0.307
MAR-TRE-36bf7dba-8
0.304
MAR-TRE-36bf7dba-33
0.304
MAR-TRE-36bf7dba-38
0.304
MAR-TRE-36bf7dba-26
0.300
MAR-TRE-36bf7dba-83
0.297
MAR-TRE-36bf7dba-46
0.296
MAR-TRE-36bf7dba-66
0.296
MAR-TRE-36bf7dba-72
0.293
MAR-TRE-36bf7dba-96
0.293
MAR-TRE-36bf7dba-75
0.293
MAR-TRE-36bf7dba-100
0.292
MAR-TRE-36bf7dba-27
0.290
MAR-TRE-36bf7dba-15
0.289
MAR-TRE-36bf7dba-82
0.289
MAR-TRE-36bf7dba-21
0.287
MAR-TRE-36bf7dba-10
0.282
MAR-TRE-36bf7dba-73
0.281
MAR-TRE-36bf7dba-25
0.280
MAR-TRE-36bf7dba-32
0.263
MAR-TRE-36bf7dba-77
0.261
MAR-TRE-36bf7dba-24
0.258
MAR-TRE-36bf7dba-13
0.258
MAR-TRE-8a25d817-91
0.254
MAR-TRE-36bf7dba-16
0.245
MAR-TRE-aca67d11-25
0.243
MAR-TRE-36bf7dba-18
0.239
MAR-TRE-a78003aa-63
0.237