Molecular Properties | |
SMILES: | O=C(Cc1cccc(O)c1)Oc1csc(CCl)n1 |
MW: | 283.01 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.42 |
cLogP: | 2.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Alkyl Halide
MAR-TRE-36bf7dba-54
0.703
MAR-TRE-36bf7dba-84
0.621
MAR-TRE-36bf7dba-52
0.586
MAR-TRE-36bf7dba-44
0.580
MAR-TRE-36bf7dba-42
0.548
MAR-TRE-36bf7dba-75
0.494
MAR-TRE-36bf7dba-9
0.463
MAR-TRE-36bf7dba-28
0.451
MAR-TRE-36bf7dba-91
0.448
MAR-TRE-36bf7dba-43
0.448
MAR-TRE-36bf7dba-99
0.448
MAR-TRE-36bf7dba-97
0.441
MAR-TRE-36bf7dba-40
0.438
MAR-TRE-36bf7dba-53
0.429
MAR-TRE-36bf7dba-89
0.429
MAR-TRE-36bf7dba-31
0.429
MAR-TRE-36bf7dba-51
0.423
MAR-TRE-36bf7dba-41
0.417
MAR-TRE-36bf7dba-87
0.417
MAR-TRE-36bf7dba-64
0.413
MAR-TRE-36bf7dba-22
0.411
MAR-TRE-36bf7dba-76
0.403
MAR-TRE-36bf7dba-95
0.400
MAR-TRE-36bf7dba-30
0.392
MAR-TRE-36bf7dba-66
0.390
MAR-TRE-36bf7dba-63
0.388
MAR-TRE-36bf7dba-90
0.386
MAR-TRE-36bf7dba-37
0.382
MAR-TRE-36bf7dba-82
0.381
MAR-TRE-36bf7dba-23
0.375
MAR-TRE-36bf7dba-4
0.370
MAR-TRE-36bf7dba-36
0.365
MAR-TRE-36bf7dba-1
0.360
MAR-TRE-36bf7dba-67
0.360
MAR-TRE-36bf7dba-56
0.359
MAR-TRE-36bf7dba-78
0.358
MAR-TRE-36bf7dba-14
0.351
MAR-TRE-36bf7dba-69
0.342
MAR-TRE-36bf7dba-93
0.342
MAR-TRE-aca67d11-76
0.338
MAR-TRE-36bf7dba-94
0.338
MAR-TRE-36bf7dba-73
0.337
MAR-TRE-36bf7dba-47
0.333
MAR-TRE-36bf7dba-68
0.333
MAR-TRE-36bf7dba-48
0.329
MAR-TRE-36bf7dba-21
0.327
MAR-TRE-36bf7dba-46
0.326
MAR-TRE-aca67d11-84
0.325
MAR-TRE-36bf7dba-57
0.325
MAR-TRE-36bf7dba-27
0.316
MAR-TRE-36bf7dba-88
0.313
MAR-TRE-36bf7dba-35
0.313
MAR-TRE-36bf7dba-26
0.312
MAR-TRE-36bf7dba-83
0.312
MAR-TRE-36bf7dba-81
0.311
MAR-TRE-36bf7dba-34
0.308
MAR-TRE-36bf7dba-65
0.306
MAR-TRE-36bf7dba-7
0.306
MAR-TRE-36bf7dba-55
0.305
MAR-TRE-36bf7dba-12
0.303
ALP-POS-95b75b4d-2
0.300
MAR-TRE-36bf7dba-25
0.296
MAR-TRE-36bf7dba-80
0.295
MAR-TRE-36bf7dba-60
0.291
MAR-TRE-36bf7dba-19
0.291
MAR-TRE-36bf7dba-20
0.289
MAR-TRE-36bf7dba-79
0.289
MAR-TRE-36bf7dba-8
0.286
MAR-TRE-36bf7dba-49
0.284
MAR-TRE-36bf7dba-86
0.284
MAR-TRE-36bf7dba-71
0.282
MAR-TRE-36bf7dba-62
0.282
MAR-TRE-36bf7dba-92
0.281
MAR-TRE-36bf7dba-70
0.280
MAR-TRE-36bf7dba-98
0.277
MAR-TRE-36bf7dba-100
0.275
MAR-TRE-36bf7dba-6
0.274
MAR-TRE-36bf7dba-29
0.274
MAR-TRE-aca67d11-12
0.273
MAR-TRE-36bf7dba-33
0.269
MAR-TRE-36bf7dba-59
0.268
MAR-TRE-36bf7dba-39
0.267
MAR-TRE-36bf7dba-10
0.267
MAR-TRE-36bf7dba-85
0.267
MAR-TRE-36bf7dba-2
0.267
MAR-TRE-36bf7dba-50
0.266
MAR-TRE-36bf7dba-11
0.264
MAR-TRE-36bf7dba-32
0.264
MAR-TRE-36bf7dba-58
0.264
ANT-DIA-b7f58f21-2
0.264
MAR-TRE-36bf7dba-72
0.262
MAR-TRE-36bf7dba-96
0.262
MAR-TRE-36bf7dba-5
0.260
MAR-TRE-36bf7dba-15
0.259
MAR-TRE-36bf7dba-45
0.259
MAT-POS-bb423b95-8
0.258
MAR-TRE-36bf7dba-38
0.258
MAR-TRE-36bf7dba-3
0.256
PET-UNK-f4e47ebd-2
0.255
MAR-TRE-8a25d817-83
0.253