Molecular Properties | |
SMILES: | O=C(COc1csc(CCl)n1)C(O)CO |
MW: | 251.0 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 79.65 |
cLogP: | 0.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Filter6_benzyl_halide
aliphatic ketone not ring and not di-carbonyl
Ketone
Alkyl Halide
MAR-TRE-36bf7dba-12
0.698
MAR-TRE-36bf7dba-60
0.500
MAR-TRE-36bf7dba-50
0.468
MAR-TRE-36bf7dba-7
0.466
MAR-TRE-36bf7dba-86
0.458
MAR-TRE-36bf7dba-19
0.453
MAR-TRE-36bf7dba-39
0.429
MAR-TRE-36bf7dba-96
0.426
MAR-TRE-36bf7dba-70
0.426
MAR-TRE-36bf7dba-6
0.424
MAR-TRE-36bf7dba-80
0.415
MAR-TRE-36bf7dba-20
0.413
MAR-TRE-36bf7dba-2
0.410
MAR-TRE-36bf7dba-33
0.406
MAR-TRE-36bf7dba-8
0.406
MAR-TRE-36bf7dba-11
0.403
MAR-TRE-36bf7dba-94
0.400
MAR-TRE-36bf7dba-45
0.400
MAR-TRE-36bf7dba-5
0.397
MAR-TRE-36bf7dba-38
0.392
MAR-TRE-36bf7dba-3
0.391
MAR-TRE-36bf7dba-85
0.389
MAR-TRE-36bf7dba-100
0.388
MAR-TRE-36bf7dba-23
0.385
MAR-TRE-36bf7dba-62
0.379
MAR-TRE-36bf7dba-89
0.379
MAR-TRE-36bf7dba-48
0.375
MAR-TRE-36bf7dba-43
0.375
MAR-TRE-36bf7dba-90
0.375
MAR-TRE-36bf7dba-99
0.375
MAR-TRE-36bf7dba-25
0.371
MAR-TRE-36bf7dba-83
0.371
MAR-TRE-36bf7dba-10
0.370
MAR-TRE-36bf7dba-69
0.369
MAR-TRE-36bf7dba-1
0.368
MAR-TRE-36bf7dba-72
0.366
MAR-TRE-36bf7dba-4
0.358
MAR-TRE-36bf7dba-31
0.358
MAR-TRE-36bf7dba-14
0.357
MAR-TRE-36bf7dba-59
0.357
MAR-TRE-36bf7dba-76
0.356
MAR-TRE-36bf7dba-68
0.356
MAR-TRE-36bf7dba-91
0.354
MAR-TRE-36bf7dba-36
0.353
MAR-TRE-36bf7dba-37
0.352
MAR-TRE-36bf7dba-9
0.348
MAR-TRE-36bf7dba-97
0.348
MAR-TRE-36bf7dba-34
0.348
MAR-TRE-36bf7dba-41
0.348
MAR-TRE-36bf7dba-67
0.348
MAR-TRE-36bf7dba-46
0.346
MAR-TRE-36bf7dba-30
0.343
MAR-TRE-36bf7dba-22
0.343
MAR-TRE-36bf7dba-28
0.343
MAR-TRE-36bf7dba-15
0.342
MAR-TRE-36bf7dba-53
0.338
MAR-TRE-36bf7dba-47
0.338
MAR-TRE-36bf7dba-51
0.333
MAR-TRE-36bf7dba-95
0.333
MAR-TRE-36bf7dba-40
0.333
MAR-TRE-36bf7dba-58
0.329
MAR-TRE-36bf7dba-64
0.329
MAR-TRE-36bf7dba-56
0.329
MAR-TRE-36bf7dba-87
0.329
MAR-TRE-36bf7dba-79
0.328
MAR-TRE-36bf7dba-29
0.324
MAR-TRE-36bf7dba-55
0.324
MAR-TRE-36bf7dba-49
0.323
MAR-TRE-36bf7dba-71
0.316
MAR-TRE-36bf7dba-35
0.316
MAR-TRE-36bf7dba-78
0.312
MAR-TRE-36bf7dba-74
0.311
MAR-TRE-36bf7dba-98
0.311
MAR-TRE-36bf7dba-84
0.307
MAR-TRE-36bf7dba-77
0.303
MAR-TRE-36bf7dba-13
0.300
MAR-TRE-36bf7dba-44
0.299
MAR-TRE-36bf7dba-54
0.299
MAR-TRE-36bf7dba-57
0.293
MAR-TRE-36bf7dba-93
0.293
MAR-TRE-36bf7dba-61
0.292
MAR-TRE-36bf7dba-52
0.291
MAR-TRE-36bf7dba-63
0.291
MAR-TRE-36bf7dba-24
0.287
MAR-TRE-36bf7dba-16
0.286
MAR-TRE-36bf7dba-42
0.284
MAR-TRE-36bf7dba-88
0.282
MAR-TRE-36bf7dba-18
0.281
MAR-TRE-36bf7dba-66
0.280
MAR-TRE-36bf7dba-32
0.278
MAR-TRE-36bf7dba-75
0.277
MAR-TRE-36bf7dba-65
0.275
MAR-TRE-36bf7dba-17
0.275
MAR-TRE-36bf7dba-82
0.274
MAR-TRE-36bf7dba-92
0.265
MAR-TRE-36bf7dba-21
0.260
MAR-TRE-36bf7dba-26
0.258
MAR-TRE-36bf7dba-73
0.253
MAR-TRE-36bf7dba-27
0.250
MAR-TRE-87acfbcc-77
0.228