Molecular Properties | |
SMILES: | CC(C(=O)O)C(=O)c1nc(O)sc1CCl |
MW: | 248.99 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.49 |
cLogP: | 1.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-aca67d11-53
0.638
MAR-TRE-aca67d11-78
0.604
MAR-TRE-aca67d11-71
0.592
MAR-TRE-aca67d11-37
0.571
MAR-TRE-aca67d11-54
0.566
MAR-TRE-aca67d11-38
0.560
MAR-TRE-aca67d11-74
0.558
MAR-TRE-aca67d11-10
0.545
MAR-TRE-aca67d11-58
0.519
MAR-TRE-aca67d11-80
0.518
MAR-TRE-aca67d11-7
0.517
MAR-TRE-aca67d11-52
0.491
MAR-TRE-aca67d11-46
0.490
MAR-TRE-aca67d11-43
0.483
MAR-TRE-aca67d11-25
0.483
MAR-TRE-aca67d11-30
0.467
MAR-TRE-aca67d11-95
0.464
MAR-TRE-aca67d11-100
0.463
MAR-TRE-aca67d11-63
0.446
MAR-TRE-aca67d11-90
0.444
MAR-TRE-aca67d11-72
0.442
MAR-TRE-aca67d11-97
0.441
MAR-TRE-aca67d11-40
0.436
MAR-TRE-aca67d11-75
0.434
MAR-TRE-aca67d11-79
0.431
MAR-TRE-aca67d11-65
0.418
MAR-TRE-aca67d11-84
0.418
MAR-TRE-aca67d11-85
0.417
MAR-TRE-aca67d11-26
0.417
MAR-TRE-aca67d11-60
0.415
MAR-TRE-aca67d11-15
0.412
MAR-TRE-aca67d11-20
0.411
MAR-TRE-aca67d11-59
0.411
MAR-TRE-aca67d11-82
0.410
MAR-TRE-aca67d11-67
0.410
MAR-TRE-aca67d11-77
0.407
MAR-TRE-aca67d11-64
0.404
MAR-TRE-aca67d11-70
0.400
MAR-TRE-aca67d11-16
0.397
MAR-TRE-aca67d11-21
0.397
MAR-TRE-aca67d11-13
0.397
MAR-TRE-aca67d11-96
0.397
MAR-TRE-aca67d11-14
0.393
MAR-TRE-aca67d11-66
0.391
MAR-TRE-aca67d11-94
0.390
MAR-TRE-aca67d11-55
0.390
MAR-TRE-aca67d11-56
0.387
MAR-TRE-aca67d11-83
0.387
MAR-TRE-aca67d11-68
0.386
MAR-TRE-aca67d11-8
0.385
MAR-TRE-aca67d11-12
0.383
MAR-TRE-aca67d11-69
0.383
MAR-TRE-aca67d11-47
0.383
MAR-TRE-aca67d11-93
0.383
MAR-TRE-aca67d11-81
0.377
MAR-TRE-aca67d11-62
0.377
MAR-TRE-aca67d11-22
0.375
MAR-TRE-aca67d11-36
0.371
MAR-TRE-aca67d11-34
0.371
MAR-TRE-aca67d11-11
0.371
MAR-TRE-aca67d11-89
0.371
MAR-TRE-aca67d11-23
0.371
MAR-TRE-aca67d11-87
0.370
MAR-TRE-aca67d11-4
0.369
MAR-TRE-aca67d11-86
0.365
MAR-TRE-aca67d11-39
0.365
MAR-TRE-aca67d11-91
0.365
MAR-TRE-aca67d11-6
0.365
MAR-TRE-aca67d11-31
0.365
MAR-TRE-aca67d11-1
0.359
MAR-TRE-aca67d11-42
0.355
MAR-TRE-aca67d11-29
0.354
MAR-TRE-aca67d11-73
0.354
MAR-TRE-aca67d11-2
0.348
MAR-TRE-aca67d11-44
0.348
MAR-TRE-aca67d11-3
0.348
MAR-TRE-aca67d11-18
0.343
MAR-TRE-aca67d11-45
0.338
MAR-TRE-aca67d11-5
0.338
MAR-TRE-aca67d11-33
0.333
MAR-TRE-aca67d11-76
0.333
MAR-TRE-aca67d11-9
0.329
MAR-TRE-aca67d11-49
0.324
MAR-TRE-aca67d11-28
0.324
MAR-TRE-aca67d11-50
0.322
MAR-TRE-aca67d11-48
0.311
MAR-TRE-aca67d11-19
0.307
MAR-TRE-aca67d11-61
0.300
MAR-TRE-aca67d11-41
0.297
MAR-TRE-aca67d11-92
0.286
MAR-TRE-aca67d11-17
0.277
MAR-TRE-8a25d817-65
0.276
MAR-TRE-8a25d817-76
0.267
MAR-TRE-aca67d11-57
0.254
MAR-TRE-aca67d11-24
0.254
MAR-TRE-87acfbcc-79
0.250
MAR-TRE-aca67d11-88
0.250
MAR-TRE-aca67d11-99
0.250
MAR-TRE-aca67d11-35
0.242
MAR-TRE-36bf7dba-90
0.242