Molecular Properties | |
SMILES: | CCOC(=O)CCC(=O)c1nc(O)sc1CCl |
MW: | 277.02 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 76.49 |
cLogP: | 2.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
aliphatic ester, not lactones
Ketone
Ester
Long aliphatic chain
Alkyl Halide
MAR-TRE-aca67d11-44
0.714
MAR-TRE-aca67d11-64
0.706
MAR-TRE-aca67d11-79
0.667
MAR-TRE-aca67d11-16
0.630
MAR-TRE-aca67d11-75
0.627
MAR-TRE-aca67d11-77
0.627
MAR-TRE-aca67d11-72
0.608
MAR-TRE-aca67d11-68
0.593
MAR-TRE-aca67d11-90
0.574
MAR-TRE-aca67d11-55
0.561
MAR-TRE-aca67d11-21
0.544
MAR-TRE-8a25d817-39
0.492
MAR-TRE-aca67d11-40
0.483
MAR-TRE-aca67d11-59
0.483
MAR-TRE-aca67d11-46
0.481
MAR-TRE-aca67d11-60
0.464
MAR-TRE-aca67d11-94
0.459
MAR-TRE-aca67d11-20
0.458
MAR-TRE-aca67d11-100
0.458
MAR-TRE-aca67d11-66
0.455
MAR-TRE-aca67d11-45
0.446
MAR-TRE-aca67d11-33
0.439
MAR-TRE-aca67d11-76
0.439
MAR-TRE-aca67d11-97
0.438
MAR-TRE-aca67d11-26
0.438
MAR-TRE-aca67d11-95
0.435
MAR-TRE-aca67d11-63
0.419
MAR-TRE-aca67d11-11
0.415
MAR-TRE-aca67d11-36
0.411
MAR-TRE-aca67d11-6
0.409
MAR-TRE-aca67d11-19
0.400
MAR-TRE-aca67d11-53
0.400
MAR-TRE-aca67d11-14
0.394
MAR-TRE-aca67d11-41
0.392
MAR-TRE-aca67d11-69
0.385
MAR-TRE-aca67d11-27
0.383
MAR-TRE-aca67d11-96
0.375
MAR-TRE-aca67d11-85
0.373
MAR-TRE-aca67d11-65
0.371
MAR-TRE-aca67d11-86
0.368
MAR-TRE-aca67d11-39
0.368
MAR-TRE-aca67d11-58
0.365
MAR-TRE-aca67d11-54
0.364
MAR-TRE-aca67d11-5
0.361
MAR-TRE-aca67d11-70
0.358
MAR-TRE-aca67d11-81
0.358
MAR-TRE-aca67d11-42
0.358
MAR-TRE-aca67d11-22
0.357
MAR-TRE-aca67d11-37
0.355
MAR-TRE-aca67d11-78
0.355
MAR-TRE-aca67d11-13
0.354
MAR-TRE-aca67d11-74
0.354
MAR-TRE-aca67d11-89
0.353
MAR-TRE-aca67d11-3
0.352
MAR-TRE-aca67d11-38
0.349
MAR-TRE-aca67d11-71
0.349
MAR-TRE-aca67d11-52
0.348
MAR-TRE-aca67d11-25
0.348
MAR-TRE-aca67d11-67
0.348
MAR-TRE-aca67d11-1
0.343
MAR-TRE-aca67d11-80
0.333
MAR-TRE-aca67d11-23
0.333
MAR-TRE-8a25d817-15
0.333
MAR-TRE-aca67d11-2
0.333
MAR-TRE-aca67d11-4
0.333
MAR-TRE-aca67d11-8
0.329
MAR-TRE-aca67d11-83
0.329
MAR-TRE-aca67d11-12
0.324
MAR-TRE-aca67d11-93
0.324
MAR-TRE-aca67d11-73
0.319
MAR-TRE-8a25d817-57
0.318
MAR-TRE-aca67d11-43
0.315
MAR-TRE-8a25d817-90
0.314
MAR-TRE-aca67d11-34
0.314
MAR-TRE-aca67d11-10
0.314
MAR-TRE-aca67d11-18
0.311
MAR-TRE-aca67d11-56
0.310
MAR-TRE-8a25d817-35
0.310
MAR-TRE-aca67d11-31
0.310
MAR-TRE-aca67d11-82
0.310
MAR-TRE-aca67d11-91
0.310
MAR-TRE-8a25d817-6
0.309
MAR-TRE-aca67d11-50
0.308
MAR-TRE-aca67d11-87
0.306
MAR-TRE-aca67d11-7
0.301
MAR-TRE-aca67d11-30
0.301
MAR-TRE-aca67d11-29
0.301
MAR-TRE-aca67d11-84
0.291
MAR-TRE-8a25d817-32
0.288
MAR-TRE-a78003aa-18
0.288
MAR-TRE-aca67d11-15
0.287
MAR-TRE-aca67d11-48
0.284
MAR-TRE-8a25d817-4
0.284
MAR-TRE-aca67d11-9
0.282
MAR-TRE-aca67d11-28
0.278
MAR-TRE-aca67d11-49
0.278
MAR-TRE-aca67d11-62
0.270
MAR-TRE-8a25d817-37
0.269
MAR-TRE-8a25d817-88
0.269
MAR-TRE-8a25d817-19
0.268