Molecular Properties | |
SMILES: | O=C(Cc1ccc(O)c(Cl)c1)Oc1csc(CCl)n1 |
MW: | 316.97 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.42 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Alkyl Halide
MAR-TRE-36bf7dba-52
0.672
MAR-TRE-36bf7dba-74
0.621
MAR-TRE-36bf7dba-44
0.594
MAR-TRE-36bf7dba-54
0.571
MAR-TRE-36bf7dba-42
0.562
MAR-TRE-36bf7dba-9
0.456
MAR-TRE-36bf7dba-40
0.452
MAR-TRE-36bf7dba-75
0.450
MAR-TRE-36bf7dba-91
0.441
MAR-TRE-36bf7dba-99
0.441
MAR-TRE-36bf7dba-43
0.441
MAR-TRE-36bf7dba-97
0.435
MAR-TRE-36bf7dba-28
0.425
MAR-TRE-36bf7dba-89
0.423
MAR-TRE-36bf7dba-53
0.423
MAR-TRE-36bf7dba-31
0.423
MAR-TRE-36bf7dba-51
0.417
MAR-TRE-36bf7dba-41
0.411
MAR-TRE-36bf7dba-87
0.411
MAR-TRE-36bf7dba-64
0.408
MAR-TRE-36bf7dba-22
0.405
MAR-TRE-36bf7dba-78
0.405
MAR-TRE-36bf7dba-76
0.397
MAR-TRE-36bf7dba-95
0.395
MAR-TRE-36bf7dba-93
0.390
MAR-TRE-36bf7dba-90
0.380
MAR-TRE-36bf7dba-23
0.370
MAR-TRE-36bf7dba-66
0.369
MAR-TRE-36bf7dba-30
0.368
MAR-TRE-36bf7dba-63
0.366
MAR-TRE-36bf7dba-4
0.365
MAR-TRE-36bf7dba-82
0.360
MAR-TRE-36bf7dba-36
0.360
MAR-TRE-36bf7dba-37
0.359
MAR-TRE-36bf7dba-67
0.355
MAR-TRE-36bf7dba-1
0.355
MAR-TRE-36bf7dba-56
0.354
MAR-TRE-36bf7dba-14
0.346
MAR-TRE-36bf7dba-88
0.341
MAR-TRE-36bf7dba-69
0.338
MAR-TRE-36bf7dba-57
0.338
MAR-TRE-36bf7dba-65
0.333
MAR-TRE-36bf7dba-73
0.333
MAR-TRE-36bf7dba-47
0.329
MAR-TRE-36bf7dba-68
0.329
MAR-TRE-36bf7dba-83
0.325
MAR-TRE-36bf7dba-48
0.324
MAR-TRE-36bf7dba-21
0.323
MAR-TRE-36bf7dba-46
0.322
MAR-TRE-36bf7dba-27
0.313
MAR-TRE-36bf7dba-26
0.309
MAR-TRE-36bf7dba-92
0.307
MAR-TRE-36bf7dba-81
0.307
MAR-TRE-36bf7dba-34
0.304
MAR-TRE-36bf7dba-12
0.299
MAR-TRE-36bf7dba-35
0.294
MAR-TRE-36bf7dba-80
0.291
MAR-TRE-36bf7dba-98
0.289
MAR-TRE-36bf7dba-60
0.287
MAR-TRE-36bf7dba-19
0.287
MAR-TRE-36bf7dba-55
0.286
MAR-TRE-36bf7dba-77
0.286
MAR-TRE-36bf7dba-79
0.286
MAR-TRE-36bf7dba-94
0.286
MAR-TRE-36bf7dba-20
0.286
MAR-TRE-36bf7dba-7
0.284
MAR-TRE-36bf7dba-8
0.282
MAR-TRE-36bf7dba-86
0.280
MAR-TRE-36bf7dba-49
0.280
MAR-TRE-36bf7dba-39
0.279
MAR-TRE-36bf7dba-71
0.279
MAR-TRE-36bf7dba-62
0.278
MAR-TRE-36bf7dba-25
0.277
MAR-TRE-36bf7dba-70
0.276
MAR-TRE-36bf7dba-11
0.276
MAR-TRE-36bf7dba-29
0.271
MAR-TRE-36bf7dba-6
0.270
MAR-TRE-36bf7dba-33
0.266
MAR-TRE-36bf7dba-59
0.265
MAR-TRE-36bf7dba-85
0.264
MAR-TRE-36bf7dba-2
0.263
MAR-TRE-36bf7dba-50
0.263
MAR-TRE-36bf7dba-58
0.261
MAR-TRE-36bf7dba-96
0.259
MAR-TRE-36bf7dba-5
0.256
MAR-TRE-36bf7dba-100
0.256
MAR-TRE-36bf7dba-45
0.256
MAR-TRE-36bf7dba-15
0.256
MAR-TRE-36bf7dba-3
0.253
MAR-TRE-36bf7dba-10
0.250
DAV-CRI-3edb475e-1
0.250
MAR-TRE-36bf7dba-32
0.247
MAR-TRE-36bf7dba-13
0.245
MAR-TRE-36bf7dba-72
0.244
MAR-TRE-36bf7dba-38
0.242
MAR-TRE-8a25d817-98
0.241
MAR-TRE-36bf7dba-61
0.238
MAR-TRE-a78003aa-1
0.236
MAR-TRE-36bf7dba-17
0.223
DAR-DIA-6a49afbe-9
0.222