Molecular Properties | |
SMILES: | CCOC(=O)CC(=O)c1nc(O)sc1CCl |
MW: | 263.0 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 76.49 |
cLogP: | 1.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Carboxylic acid esters
Filter6_benzyl_halide
aliphatic ester, not lactones
Ketone
Ester
Alkyl Halide
MAR-TRE-aca67d11-47
0.630
MAR-TRE-aca67d11-46
0.592
MAR-TRE-aca67d11-64
0.545
MAR-TRE-aca67d11-20
0.527
MAR-TRE-aca67d11-90
0.509
MAR-TRE-aca67d11-77
0.500
MAR-TRE-aca67d11-75
0.500
MAR-TRE-aca67d11-94
0.500
MAR-TRE-aca67d11-44
0.492
MAR-TRE-aca67d11-79
0.492
MAR-TRE-aca67d11-60
0.481
MAR-TRE-aca67d11-72
0.481
MAR-TRE-8a25d817-6
0.475
MAR-TRE-aca67d11-95
0.475
MAR-TRE-aca67d11-55
0.475
MAR-TRE-aca67d11-40
0.474
MAR-TRE-aca67d11-68
0.474
MAR-TRE-aca67d11-100
0.474
MAR-TRE-aca67d11-97
0.452
MAR-TRE-aca67d11-59
0.448
MAR-TRE-aca67d11-21
0.433
MAR-TRE-aca67d11-63
0.433
MAR-TRE-aca67d11-11
0.429
MAR-TRE-aca67d11-26
0.429
MAR-TRE-aca67d11-66
0.424
MAR-TRE-aca67d11-53
0.414
MAR-TRE-aca67d11-14
0.406
MAR-TRE-aca67d11-6
0.400
MAR-TRE-aca67d11-58
0.400
MAR-TRE-aca67d11-69
0.397
MAR-TRE-aca67d11-54
0.397
MAR-TRE-aca67d11-27
0.397
MAR-TRE-aca67d11-45
0.394
MAR-TRE-aca67d11-70
0.391
MAR-TRE-aca67d11-33
0.388
MAR-TRE-aca67d11-76
0.388
MAR-TRE-aca67d11-96
0.387
MAR-TRE-aca67d11-85
0.385
MAR-TRE-aca67d11-36
0.384
MAR-TRE-aca67d11-71
0.383
MAR-TRE-aca67d11-52
0.381
MAR-TRE-aca67d11-86
0.379
MAR-TRE-aca67d11-39
0.379
MAR-TRE-aca67d11-25
0.379
MAR-TRE-aca67d11-42
0.369
MAR-TRE-aca67d11-37
0.367
MAR-TRE-aca67d11-78
0.367
MAR-TRE-aca67d11-74
0.365
MAR-TRE-aca67d11-89
0.364
MAR-TRE-aca67d11-3
0.362
MAR-TRE-aca67d11-43
0.362
MAR-TRE-aca67d11-38
0.361
MAR-TRE-aca67d11-65
0.361
MAR-TRE-aca67d11-67
0.358
MAR-TRE-aca67d11-19
0.355
MAR-TRE-aca67d11-1
0.353
MAR-TRE-aca67d11-5
0.352
MAR-TRE-aca67d11-81
0.348
MAR-TRE-aca67d11-22
0.348
MAR-TRE-aca67d11-41
0.347
MAR-TRE-aca67d11-13
0.344
MAR-TRE-aca67d11-80
0.343
MAR-TRE-aca67d11-4
0.343
MAR-TRE-aca67d11-50
0.339
MAR-TRE-aca67d11-83
0.338
MAR-TRE-aca67d11-82
0.338
MAR-TRE-aca67d11-8
0.338
MAR-TRE-aca67d11-93
0.333
MAR-TRE-8a25d817-19
0.333
MAR-TRE-aca67d11-12
0.333
MAR-TRE-aca67d11-73
0.329
MAR-TRE-aca67d11-2
0.324
MAR-TRE-aca67d11-34
0.324
MAR-TRE-aca67d11-10
0.324
MAR-TRE-aca67d11-23
0.324
MAR-TRE-aca67d11-56
0.319
MAR-TRE-aca67d11-91
0.319
MAR-TRE-aca67d11-31
0.319
MAR-TRE-aca67d11-87
0.317
MAR-TRE-aca67d11-15
0.312
MAR-TRE-8a25d817-4
0.310
MAR-TRE-aca67d11-7
0.310
MAR-TRE-aca67d11-29
0.310
MAR-TRE-aca67d11-30
0.310
MAR-TRE-8a25d817-39
0.309
MAR-TRE-a78003aa-28
0.304
MAR-TRE-8a25d817-5
0.302
MAR-TRE-aca67d11-18
0.301
MAR-TRE-aca67d11-84
0.299
MAR-TRE-8a25d817-32
0.297
MAR-TRE-aca67d11-48
0.291
MAR-TRE-aca67d11-9
0.289
MAR-TRE-aca67d11-28
0.286
MAR-TRE-aca67d11-49
0.286
MAR-TRE-a78003aa-52
0.284
MAR-TRE-8a25d817-15
0.284
MAR-TRE-8a25d817-88
0.277
MAR-TRE-aca67d11-62
0.276
MAR-TRE-8a25d817-90
0.268
MAR-TRE-aca67d11-92
0.265