Molecular Properties | |
SMILES: | CCC(C(=O)O)C(=O)c1nc(O)sc1CCl |
MW: | 263.0 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 87.49 |
cLogP: | 1.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-aca67d11-54
0.680
MAR-TRE-aca67d11-74
0.640
MAR-TRE-aca67d11-27
0.638
MAR-TRE-aca67d11-78
0.592
MAR-TRE-aca67d11-71
0.580
MAR-TRE-aca67d11-37
0.560
MAR-TRE-aca67d11-38
0.549
MAR-TRE-aca67d11-58
0.538
MAR-TRE-aca67d11-52
0.509
MAR-TRE-aca67d11-10
0.509
MAR-TRE-aca67d11-80
0.509
MAR-TRE-aca67d11-7
0.483
MAR-TRE-aca67d11-46
0.480
MAR-TRE-aca67d11-43
0.475
MAR-TRE-aca67d11-25
0.475
MAR-TRE-aca67d11-63
0.464
MAR-TRE-aca67d11-30
0.459
MAR-TRE-aca67d11-95
0.456
MAR-TRE-aca67d11-59
0.455
MAR-TRE-aca67d11-100
0.455
MAR-TRE-aca67d11-72
0.434
MAR-TRE-aca67d11-97
0.433
MAR-TRE-aca67d11-26
0.433
MAR-TRE-aca67d11-75
0.426
MAR-TRE-aca67d11-16
0.414
MAR-TRE-aca67d11-90
0.411
MAR-TRE-aca67d11-65
0.411
MAR-TRE-aca67d11-85
0.410
MAR-TRE-aca67d11-11
0.410
MAR-TRE-aca67d11-60
0.407
MAR-TRE-aca67d11-15
0.406
MAR-TRE-aca67d11-20
0.404
MAR-TRE-aca67d11-40
0.404
MAR-TRE-aca67d11-47
0.400
MAR-TRE-aca67d11-77
0.400
MAR-TRE-aca67d11-79
0.400
MAR-TRE-aca67d11-64
0.397
MAR-TRE-aca67d11-70
0.393
MAR-TRE-aca67d11-84
0.391
MAR-TRE-aca67d11-96
0.390
MAR-TRE-aca67d11-13
0.390
MAR-TRE-aca67d11-21
0.390
MAR-TRE-aca67d11-14
0.387
MAR-TRE-aca67d11-89
0.387
MAR-TRE-aca67d11-4
0.385
MAR-TRE-aca67d11-66
0.385
MAR-TRE-aca67d11-55
0.383
MAR-TRE-aca67d11-94
0.383
MAR-TRE-aca67d11-86
0.381
MAR-TRE-aca67d11-67
0.381
MAR-TRE-aca67d11-82
0.381
MAR-TRE-aca67d11-83
0.381
MAR-TRE-aca67d11-39
0.381
MAR-TRE-aca67d11-56
0.381
MAR-TRE-aca67d11-6
0.381
MAR-TRE-aca67d11-68
0.379
MAR-TRE-aca67d11-69
0.377
MAR-TRE-aca67d11-93
0.377
MAR-TRE-aca67d11-12
0.377
MAR-TRE-aca67d11-1
0.375
MAR-TRE-aca67d11-5
0.373
MAR-TRE-aca67d11-81
0.371
MAR-TRE-aca67d11-22
0.369
MAR-TRE-aca67d11-34
0.365
MAR-TRE-aca67d11-23
0.365
MAR-TRE-aca67d11-44
0.364
MAR-TRE-aca67d11-3
0.364
MAR-TRE-aca67d11-91
0.359
MAR-TRE-aca67d11-31
0.359
MAR-TRE-aca67d11-8
0.358
MAR-TRE-aca67d11-45
0.354
MAR-TRE-aca67d11-42
0.349
MAR-TRE-aca67d11-73
0.348
MAR-TRE-aca67d11-33
0.348
MAR-TRE-aca67d11-29
0.348
MAR-TRE-aca67d11-76
0.348
MAR-TRE-aca67d11-36
0.347
MAR-TRE-aca67d11-2
0.343
MAR-TRE-aca67d11-87
0.339
MAR-TRE-aca67d11-18
0.338
MAR-TRE-aca67d11-62
0.338
MAR-TRE-aca67d11-9
0.324
MAR-TRE-aca67d11-19
0.320
MAR-TRE-aca67d11-28
0.319
MAR-TRE-aca67d11-49
0.319
MAR-TRE-aca67d11-50
0.317
MAR-TRE-aca67d11-41
0.311
MAR-TRE-aca67d11-48
0.289
MAR-TRE-aca67d11-92
0.281
MAR-TRE-aca67d11-61
0.278
MAR-TRE-aca67d11-17
0.273
MAR-TRE-8a25d817-58
0.262
MAR-TRE-87acfbcc-41
0.258
MAR-TRE-aca67d11-35
0.258
MAR-TRE-a78003aa-91
0.258
MAR-TRE-aca67d11-24
0.250
MAR-TRE-aca67d11-57
0.250
MAR-TRE-8a25d817-61
0.250
MAR-TRE-8a25d817-65
0.250
MAR-TRE-8a25d817-87
0.250