Molecular Properties | |
SMILES: | O=C(O)CC(=O)CC(=O)Oc1csc(CCl)n1 |
MW: | 276.98 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 93.56 |
cLogP: | 1.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Carboxylic acid esters
Ketones
Filter6_benzyl_halide
aliphatic ketone not ring and not di-carbonyl
Ketone
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-53
0.717
MAR-TRE-36bf7dba-97
0.589
MAR-TRE-36bf7dba-43
0.571
MAR-TRE-36bf7dba-99
0.571
MAR-TRE-36bf7dba-31
0.569
MAR-TRE-36bf7dba-9
0.561
MAR-TRE-36bf7dba-89
0.542
MAR-TRE-36bf7dba-51
0.533
MAR-TRE-36bf7dba-87
0.525
MAR-TRE-36bf7dba-41
0.525
MAR-TRE-36bf7dba-22
0.492
MAR-TRE-36bf7dba-4
0.492
MAR-TRE-36bf7dba-76
0.478
MAR-TRE-36bf7dba-28
0.469
MAR-TRE-36bf7dba-90
0.467
MAR-TRE-36bf7dba-95
0.455
MAR-TRE-36bf7dba-40
0.455
MAR-TRE-36bf7dba-23
0.452
MAR-TRE-36bf7dba-56
0.448
MAR-TRE-36bf7dba-74
0.448
MAR-TRE-36bf7dba-64
0.448
MAR-TRE-36bf7dba-30
0.446
MAR-TRE-36bf7dba-84
0.441
MAR-TRE-36bf7dba-36
0.438
MAR-TRE-36bf7dba-69
0.435
MAR-TRE-36bf7dba-37
0.433
MAR-TRE-36bf7dba-1
0.431
MAR-TRE-36bf7dba-67
0.431
MAR-TRE-36bf7dba-44
0.429
MAR-TRE-36bf7dba-54
0.429
MAR-TRE-36bf7dba-52
0.417
MAR-TRE-36bf7dba-68
0.414
MAR-TRE-36bf7dba-75
0.413
MAR-TRE-36bf7dba-82
0.408
MAR-TRE-36bf7dba-42
0.405
MAR-TRE-36bf7dba-66
0.400
MAR-TRE-36bf7dba-63
0.397
MAR-TRE-36bf7dba-14
0.397
MAR-TRE-36bf7dba-48
0.397
MAR-TRE-36bf7dba-78
0.384
MAR-TRE-36bf7dba-47
0.375
MAR-TRE-36bf7dba-73
0.373
MAR-TRE-36bf7dba-34
0.368
MAR-TRE-36bf7dba-11
0.365
MAR-TRE-36bf7dba-12
0.364
MAR-TRE-36bf7dba-81
0.354
MAR-TRE-36bf7dba-20
0.348
MAR-TRE-36bf7dba-60
0.348
MAR-TRE-36bf7dba-19
0.348
MAR-TRE-36bf7dba-93
0.347
MAR-TRE-36bf7dba-49
0.344
MAR-TRE-36bf7dba-65
0.342
MAR-TRE-36bf7dba-35
0.333
MAR-TRE-36bf7dba-80
0.333
MAR-TRE-36bf7dba-88
0.333
MAR-TRE-36bf7dba-71
0.333
MAR-TRE-36bf7dba-57
0.329
MAR-TRE-36bf7dba-98
0.329
MAR-TRE-36bf7dba-7
0.328
MAR-TRE-36bf7dba-29
0.324
MAR-TRE-36bf7dba-94
0.324
MAR-TRE-36bf7dba-2
0.323
MAR-TRE-36bf7dba-86
0.323
MAR-TRE-36bf7dba-59
0.319
MAR-TRE-36bf7dba-62
0.319
MAR-TRE-36bf7dba-50
0.319
MAR-TRE-36bf7dba-70
0.318
MAR-TRE-36bf7dba-85
0.316
MAR-TRE-36bf7dba-39
0.316
MAR-TRE-36bf7dba-26
0.315
MAR-TRE-36bf7dba-6
0.312
MAR-TRE-36bf7dba-96
0.311
MAR-TRE-36bf7dba-79
0.309
MAR-TRE-36bf7dba-55
0.307
MAR-TRE-36bf7dba-8
0.304
MAR-TRE-36bf7dba-27
0.304
MAR-TRE-36bf7dba-33
0.304
MAR-TRE-36bf7dba-21
0.301
MAR-TRE-36bf7dba-25
0.297
MAR-TRE-36bf7dba-46
0.296
MAR-TRE-36bf7dba-92
0.296
MAR-TRE-36bf7dba-58
0.295
MAR-TRE-36bf7dba-5
0.294
MAR-TRE-36bf7dba-100
0.292
MAR-TRE-36bf7dba-3
0.290
MAR-TRE-36bf7dba-45
0.289
MAR-TRE-36bf7dba-10
0.282
MAR-TRE-36bf7dba-83
0.280
MAR-TRE-36bf7dba-72
0.276
MAR-TRE-36bf7dba-15
0.273
MAR-TRE-36bf7dba-38
0.272
MAR-TRE-36bf7dba-32
0.263
MAR-TRE-aca67d11-46
0.254
MAR-TRE-36bf7dba-61
0.250
MAR-TRE-36bf7dba-77
0.247
MAR-TRE-36bf7dba-16
0.245
MAR-TRE-36bf7dba-13
0.245
MAR-TRE-36bf7dba-17
0.234
SAD-SAT-5b1897b2-2
0.233
MAR-TRE-8a25d817-27
0.232