Molecular Properties | |
SMILES: | CC(=O)CC(=O)N(CC(=O)O)c1cnc(CCl)[nH]1 |
MW: | 273.05 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 103.36 |
cLogP: | 0.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Ketones
Filter6_benzyl_halide
aliphatic ketone not ring and not di-carbonyl
Ketone
Long aliphatic chain
Alkyl Halide
oxy-amide
MAR-TRE-87acfbcc-69
0.654
MAR-TRE-87acfbcc-92
0.526
MAR-TRE-87acfbcc-27
0.525
MAR-TRE-87acfbcc-3
0.522
MAR-TRE-87acfbcc-26
0.500
MAR-TRE-87acfbcc-82
0.500
MAR-TRE-87acfbcc-1
0.429
MAR-TRE-87acfbcc-39
0.418
MAR-TRE-87acfbcc-74
0.412
MAR-TRE-87acfbcc-68
0.406
MAR-TRE-87acfbcc-77
0.394
MAR-TRE-87acfbcc-24
0.382
MAR-TRE-87acfbcc-23
0.378
MAR-TRE-87acfbcc-31
0.368
MAR-TRE-87acfbcc-38
0.344
MAR-TRE-87acfbcc-79
0.339
MAR-TRE-87acfbcc-30
0.338
MAR-TRE-87acfbcc-66
0.333
MAR-TRE-87acfbcc-47
0.328
MAR-TRE-87acfbcc-41
0.328
MAR-TRE-87acfbcc-36
0.328
MAR-TRE-85681e92-77
0.322
MAR-TRE-87acfbcc-46
0.319
MAR-TRE-87acfbcc-13
0.318
MAR-TRE-87acfbcc-96
0.315
MAR-TRE-87acfbcc-20
0.313
MAR-TRE-87acfbcc-7
0.313
MAR-TRE-87acfbcc-15
0.313
MAR-TRE-87acfbcc-48
0.313
MAR-TRE-87acfbcc-49
0.313
MAR-TRE-87acfbcc-12
0.312
MAR-TRE-87acfbcc-62
0.309
MAR-TRE-87acfbcc-86
0.308
MAR-TRE-87acfbcc-64
0.306
MAR-TRE-87acfbcc-52
0.306
MAR-TRE-87acfbcc-21
0.300
MAR-TRE-87acfbcc-91
0.299
MAR-TRE-87acfbcc-16
0.296
MAR-TRE-87acfbcc-58
0.292
MAR-TRE-87acfbcc-2
0.292
MAR-TRE-87acfbcc-11
0.290
MAR-TRE-87acfbcc-9
0.288
MAR-TRE-87acfbcc-67
0.288
MAR-TRE-87acfbcc-22
0.288
MAR-TRE-87acfbcc-87
0.288
MAR-TRE-87acfbcc-5
0.286
MAR-TRE-87acfbcc-35
0.284
MAR-TRE-87acfbcc-63
0.284
MAR-TRE-87acfbcc-50
0.282
MAR-TRE-87acfbcc-19
0.280
MAR-TRE-87acfbcc-42
0.280
MAR-TRE-87acfbcc-95
0.280
MAR-TRE-87acfbcc-25
0.276
MAR-TRE-87acfbcc-97
0.276
MAR-TRE-87acfbcc-32
0.274
MAR-TRE-87acfbcc-28
0.274
MAR-TRE-87acfbcc-99
0.273
MAR-TRE-87acfbcc-53
0.273
MAR-TRE-87acfbcc-59
0.269
MAR-TRE-87acfbcc-33
0.268
MAR-TRE-87acfbcc-76
0.268
MAR-TRE-87acfbcc-17
0.263
MAR-TRE-87acfbcc-90
0.262
MAR-TRE-87acfbcc-40
0.262
MAR-TRE-87acfbcc-85
0.260
MAR-TRE-87acfbcc-51
0.260
MAR-TRE-85681e92-81
0.259
MAR-TRE-87acfbcc-45
0.257
MAR-TRE-87acfbcc-89
0.257
MAR-TRE-87acfbcc-55
0.257
MAR-TRE-87acfbcc-14
0.257
MAR-TRE-87acfbcc-61
0.256
MAR-TRE-c317dd82-21
0.254
MAR-TRE-87acfbcc-8
0.254
MAR-TRE-87acfbcc-71
0.254
MAR-TRE-423310b6-70
0.253
MAR-TRE-85681e92-55
0.250
MAR-TRE-87acfbcc-100
0.250
MAR-TRE-423310b6-76
0.250
MAR-TRE-87acfbcc-65
0.250
MAR-TRE-87acfbcc-10
0.250
MAR-TRE-87acfbcc-34
0.247
MAR-TRE-87acfbcc-93
0.243
MAR-TRE-87acfbcc-54
0.240
MAR-TRE-87acfbcc-37
0.239
MAR-TRE-87acfbcc-98
0.239
MAR-TRE-87acfbcc-4
0.239
MAR-TRE-87acfbcc-29
0.238
MAR-TRE-4f781e27-28
0.237
MAR-TRE-87acfbcc-72
0.237
MAR-TRE-423310b6-13
0.237
MAR-TRE-85681e92-22
0.235
MAR-TRE-85681e92-57
0.231
MAR-TRE-87acfbcc-80
0.230
MAR-TRE-87acfbcc-88
0.230
MAR-TRE-87acfbcc-70
0.229
MAR-TRE-66ac689e-59
0.228
MAR-TRE-87acfbcc-94
0.228
MAR-TRE-a78003aa-83
0.225
MAR-TRE-87acfbcc-83
0.225