Molecular Properties | |
SMILES: | O=C(CO)C(O)C(O)C(O)COc1csc(CCl)n1 |
MW: | 311.02 |
Fraction sp3: | 0.6 |
HBA: | 8 |
HBD: | 4 |
Rotatable Bonds: | 8 |
TPSA: | 120.11 |
cLogP: | -1.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Filter6_benzyl_halide
aliphatic ketone not ring and not di-carbonyl
Ketone
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-12
0.532
MAR-TRE-36bf7dba-81
0.500
MAR-TRE-36bf7dba-85
0.479
MAR-TRE-36bf7dba-50
0.477
MAR-TRE-36bf7dba-86
0.422
MAR-TRE-36bf7dba-94
0.411
MAR-TRE-36bf7dba-7
0.406
MAR-TRE-36bf7dba-39
0.400
MAR-TRE-36bf7dba-19
0.400
MAR-TRE-36bf7dba-70
0.394
MAR-TRE-36bf7dba-80
0.386
MAR-TRE-36bf7dba-20
0.382
MAR-TRE-36bf7dba-33
0.377
MAR-TRE-36bf7dba-8
0.377
MAR-TRE-36bf7dba-11
0.377
MAR-TRE-36bf7dba-45
0.373
MAR-TRE-36bf7dba-62
0.371
MAR-TRE-36bf7dba-6
0.369
MAR-TRE-36bf7dba-48
0.368
MAR-TRE-36bf7dba-83
0.365
MAR-TRE-36bf7dba-100
0.361
MAR-TRE-36bf7dba-96
0.360
MAR-TRE-36bf7dba-2
0.358
MAR-TRE-36bf7dba-23
0.357
MAR-TRE-36bf7dba-59
0.351
MAR-TRE-36bf7dba-47
0.351
MAR-TRE-36bf7dba-38
0.350
MAR-TRE-36bf7dba-90
0.348
MAR-TRE-36bf7dba-91
0.348
MAR-TRE-36bf7dba-99
0.348
MAR-TRE-36bf7dba-5
0.348
MAR-TRE-36bf7dba-37
0.347
MAR-TRE-36bf7dba-3
0.343
MAR-TRE-36bf7dba-69
0.343
MAR-TRE-36bf7dba-1
0.342
MAR-TRE-36bf7dba-30
0.338
MAR-TRE-36bf7dba-28
0.338
MAR-TRE-36bf7dba-15
0.338
MAR-TRE-36bf7dba-14
0.333
MAR-TRE-36bf7dba-89
0.333
MAR-TRE-36bf7dba-53
0.333
MAR-TRE-36bf7dba-10
0.329
MAR-TRE-36bf7dba-25
0.329
MAR-TRE-36bf7dba-36
0.329
MAR-TRE-36bf7dba-43
0.329
MAR-TRE-36bf7dba-46
0.325
MAR-TRE-36bf7dba-56
0.325
MAR-TRE-36bf7dba-72
0.325
MAR-TRE-36bf7dba-34
0.324
MAR-TRE-36bf7dba-41
0.324
MAR-TRE-36bf7dba-67
0.324
MAR-TRE-36bf7dba-97
0.324
MAR-TRE-36bf7dba-9
0.324
MAR-TRE-36bf7dba-29
0.321
MAR-TRE-36bf7dba-22
0.320
MAR-TRE-36bf7dba-31
0.315
MAR-TRE-36bf7dba-4
0.315
MAR-TRE-36bf7dba-95
0.312
MAR-TRE-36bf7dba-40
0.312
MAR-TRE-36bf7dba-51
0.311
MAR-TRE-36bf7dba-78
0.309
MAR-TRE-36bf7dba-57
0.308
MAR-TRE-36bf7dba-98
0.308
MAR-TRE-36bf7dba-87
0.307
MAR-TRE-36bf7dba-63
0.305
MAR-TRE-36bf7dba-68
0.300
MAR-TRE-36bf7dba-76
0.300
MAR-TRE-36bf7dba-49
0.300
MAR-TRE-36bf7dba-35
0.296
MAR-TRE-36bf7dba-71
0.296
MAR-TRE-36bf7dba-58
0.293
MAR-TRE-36bf7dba-93
0.291
MAR-TRE-36bf7dba-64
0.291
MAR-TRE-36bf7dba-74
0.291
MAR-TRE-36bf7dba-61
0.290
MAR-TRE-36bf7dba-79
0.288
MAR-TRE-36bf7dba-84
0.287
MAR-TRE-36bf7dba-55
0.287
MAR-TRE-36bf7dba-82
0.287
MAR-TRE-36bf7dba-24
0.286
MAR-TRE-36bf7dba-44
0.280
MAR-TRE-36bf7dba-88
0.280
MAR-TRE-36bf7dba-54
0.280
MAR-TRE-36bf7dba-18
0.280
MAR-TRE-36bf7dba-75
0.276
MAR-TRE-36bf7dba-52
0.274
MAR-TRE-36bf7dba-65
0.274
MAR-TRE-36bf7dba-77
0.274
MAR-TRE-36bf7dba-17
0.274
MAR-TRE-36bf7dba-13
0.271
MAR-TRE-36bf7dba-42
0.267
MAR-TRE-36bf7dba-66
0.264
MAR-TRE-36bf7dba-92
0.264
MAR-TRE-36bf7dba-16
0.258
MAR-TRE-36bf7dba-32
0.247
MAR-TRE-36bf7dba-26
0.245
MAR-TRE-36bf7dba-73
0.240
MAR-TRE-36bf7dba-27
0.238
MAR-TRE-36bf7dba-21
0.235
BAR-COM-4e090d3a-52
0.215