Molecular Properties | |
SMILES: | COc1ccc(CC(=O)Oc2csc(CCl)n2)cc1OC |
MW: | 327.03 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 57.65 |
cLogP: | 3.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Alkyl Halide
MAR-TRE-36bf7dba-52
0.727
MAR-TRE-36bf7dba-54
0.623
MAR-TRE-36bf7dba-84
0.594
MAR-TRE-36bf7dba-74
0.580
MAR-TRE-36bf7dba-42
0.547
MAR-TRE-36bf7dba-9
0.443
MAR-TRE-36bf7dba-40
0.440
MAR-TRE-36bf7dba-75
0.439
MAR-TRE-36bf7dba-89
0.431
MAR-TRE-36bf7dba-99
0.429
MAR-TRE-36bf7dba-91
0.429
MAR-TRE-36bf7dba-43
0.429
MAR-TRE-36bf7dba-51
0.425
MAR-TRE-36bf7dba-97
0.423
MAR-TRE-36bf7dba-87
0.419
MAR-TRE-36bf7dba-41
0.419
MAR-TRE-36bf7dba-28
0.413
MAR-TRE-36bf7dba-31
0.411
MAR-TRE-36bf7dba-53
0.411
MAR-TRE-36bf7dba-90
0.408
MAR-TRE-36bf7dba-95
0.403
MAR-TRE-36bf7dba-64
0.397
MAR-TRE-36bf7dba-22
0.395
MAR-TRE-36bf7dba-30
0.395
MAR-TRE-36bf7dba-76
0.388
MAR-TRE-36bf7dba-36
0.387
MAR-TRE-36bf7dba-37
0.385
MAR-TRE-36bf7dba-67
0.382
MAR-TRE-36bf7dba-56
0.380
MAR-TRE-36bf7dba-23
0.378
MAR-TRE-36bf7dba-21
0.371
MAR-TRE-36bf7dba-1
0.364
MAR-TRE-36bf7dba-66
0.360
MAR-TRE-36bf7dba-26
0.358
MAR-TRE-36bf7dba-63
0.357
MAR-TRE-36bf7dba-4
0.355
MAR-TRE-36bf7dba-14
0.354
MAR-TRE-36bf7dba-47
0.354
MAR-TRE-36bf7dba-82
0.352
MAR-TRE-36bf7dba-78
0.345
MAR-TRE-8190bb11-49
0.341
MAR-TRE-36bf7dba-68
0.337
MAR-TRE-36bf7dba-27
0.333
MAR-TRE-36bf7dba-48
0.333
MAR-TRE-36bf7dba-92
0.330
MAR-TRE-36bf7dba-93
0.329
MAR-TRE-36bf7dba-79
0.329
MAR-TRE-36bf7dba-69
0.329
MAR-TRE-36bf7dba-88
0.318
MAR-TRE-36bf7dba-73
0.312
MAR-TRE-36bf7dba-65
0.310
MAR-TRE-3724962b-28
0.304
MAR-TRE-36bf7dba-71
0.302
MAR-TRE-36bf7dba-46
0.300
MAR-TRE-36bf7dba-80
0.300
MAR-TRE-e86a56b5-91
0.299
MAR-TRE-36bf7dba-81
0.299
MAR-TRE-36bf7dba-57
0.298
MAR-TRE-36bf7dba-72
0.298
MAR-TRE-36bf7dba-34
0.296
MAR-TRE-36bf7dba-12
0.291
MAR-TRE-aca67d11-4
0.289
MAR-TRE-8a25d817-9
0.289
MAR-TRE-36bf7dba-35
0.287
MAR-TRE-36bf7dba-39
0.287
MAR-TRE-74c6519b-46
0.287
MAR-TRE-36bf7dba-83
0.286
MAR-TRE-36bf7dba-11
0.284
GAB-REV-4a4e2ff3-8
0.281
MAR-TRE-36bf7dba-19
0.280
MAR-TRE-36bf7dba-60
0.280
JOH-MR_-42fa5481-14
0.280
MAR-TRE-36bf7dba-55
0.279
MAR-TRE-36bf7dba-29
0.279
MAR-TRE-36bf7dba-94
0.279
MAR-TRE-36bf7dba-20
0.278
MAT-POS-916a2c5a-1
0.277
MAR-TRE-36bf7dba-7
0.276
MAR-TRE-36bf7dba-59
0.274
MAR-TRE-36bf7dba-49
0.273
MAR-TRE-36bf7dba-2
0.273
MAR-TRE-36bf7dba-86
0.273
MAR-TRE-d3c2bf0e-69
0.273
MAR-TRE-36bf7dba-62
0.272
MAR-TRE-36bf7dba-25
0.271
MAR-TRE-36bf7dba-58
0.270
MAR-TRE-36bf7dba-70
0.269
JOH-MR_-42fa5481-8
0.269
MAR-TRE-36bf7dba-98
0.267
MAR-TRE-4b834d9a-68
0.267
MAR-TRE-36bf7dba-5
0.266
MAR-TRE-36bf7dba-6
0.263
MAR-TRE-4b834d9a-98
0.263
MAR-TRE-36bf7dba-3
0.263
MAR-TRE-4b834d9a-58
0.260
MAR-TRE-3159af1a-88
0.260
MAR-TRE-36bf7dba-33
0.259
MAR-TRE-36bf7dba-8
0.259
MAR-TRE-36bf7dba-85
0.258
MAR-TRE-36bf7dba-50
0.256