Molecular Properties | |
SMILES: | O=S(=O)(O)C(Oc1csc(CCl)n1)c1cccnc1 |
MW: | 319.97 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 89.38 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Sulfonic acid
Filter6_benzyl_halide
S/PO3 groups
Sulfonic acid
Alkyl Halide
sulphates
MAR-TRE-36bf7dba-79
0.414
MAR-TRE-36bf7dba-48
0.380
MAR-TRE-36bf7dba-69
0.375
MAR-TRE-36bf7dba-30
0.368
MAR-TRE-36bf7dba-62
0.365
MAR-TRE-36bf7dba-59
0.364
MAR-TRE-36bf7dba-35
0.358
MAR-TRE-36bf7dba-34
0.355
MAR-TRE-36bf7dba-57
0.354
MAR-TRE-36bf7dba-93
0.354
MAR-TRE-36bf7dba-78
0.354
MAR-TRE-36bf7dba-89
0.347
MAR-TRE-36bf7dba-43
0.342
MAR-TRE-36bf7dba-40
0.342
MAR-TRE-36bf7dba-71
0.341
MAR-TRE-36bf7dba-88
0.341
MAR-TRE-36bf7dba-9
0.338
MAR-TRE-36bf7dba-41
0.338
MAR-TRE-36bf7dba-23
0.333
MAR-TRE-36bf7dba-22
0.333
MAR-TRE-36bf7dba-28
0.333
MAR-TRE-36bf7dba-65
0.333
MAR-TRE-36bf7dba-37
0.325
MAR-TRE-36bf7dba-90
0.324
MAR-TRE-36bf7dba-81
0.324
MAR-TRE-36bf7dba-92
0.322
MAR-TRE-36bf7dba-96
0.321
MAR-TRE-36bf7dba-67
0.321
MAR-TRE-36bf7dba-47
0.313
MAR-TRE-36bf7dba-54
0.310
MAR-TRE-36bf7dba-39
0.310
MAR-TRE-36bf7dba-10
0.310
MAR-TRE-36bf7dba-36
0.308
MAR-TRE-36bf7dba-91
0.307
MAR-TRE-36bf7dba-99
0.307
MAR-TRE-36bf7dba-58
0.306
MAR-TRE-36bf7dba-56
0.305
MAR-TRE-36bf7dba-74
0.305
MAR-TRE-36bf7dba-1
0.304
MAR-TRE-36bf7dba-97
0.303
MAR-TRE-36bf7dba-3
0.303
MAR-TRE-36bf7dba-7
0.301
MAR-TRE-36bf7dba-45
0.301
MAR-TRE-36bf7dba-38
0.299
MAR-TRE-36bf7dba-12
0.299
MAR-TRE-36bf7dba-86
0.297
MAR-TRE-36bf7dba-14
0.296
MAR-TRE-36bf7dba-53
0.295
MAR-TRE-36bf7dba-50
0.295
MAR-TRE-36bf7dba-4
0.295
MAR-TRE-36bf7dba-31
0.295
MAR-TRE-36bf7dba-51
0.291
MAR-TRE-36bf7dba-80
0.291
MAR-TRE-36bf7dba-64
0.289
MAK-UNK-2c1752f0-2
0.288
MAR-TRE-36bf7dba-6
0.288
MAR-TRE-36bf7dba-60
0.287
MAR-TRE-36bf7dba-19
0.287
MAR-TRE-36bf7dba-87
0.287
MAR-TRE-36bf7dba-63
0.287
MAR-TRE-36bf7dba-84
0.286
MAR-TRE-36bf7dba-15
0.286
MAR-TRE-36bf7dba-20
0.286
MAR-TRE-36bf7dba-94
0.286
MAR-TRE-36bf7dba-68
0.282
MAR-TRE-36bf7dba-76
0.282
MAR-TRE-36bf7dba-33
0.282
MAR-TRE-36bf7dba-49
0.280
MAR-TRE-36bf7dba-2
0.280
MAR-TRE-36bf7dba-44
0.279
MAR-TRE-36bf7dba-66
0.278
MAR-TRE-36bf7dba-25
0.277
MAR-TRE-36bf7dba-95
0.277
MAR-TRE-36bf7dba-70
0.276
MAR-TRE-36bf7dba-11
0.276
MAR-TRE-36bf7dba-98
0.274
MAR-TRE-36bf7dba-72
0.274
MAR-TRE-36bf7dba-5
0.273
MAR-TRE-36bf7dba-52
0.273
MAR-TRE-36bf7dba-82
0.272
MAR-TRE-36bf7dba-42
0.267
MAR-TRE-36bf7dba-8
0.266
MAR-TRE-36bf7dba-85
0.264
ADA-UNI-f8e79267-7
0.263
MAR-TRE-36bf7dba-27
0.262
MAR-TRE-36bf7dba-83
0.262
MAR-TRE-36bf7dba-75
0.261
MAR-TRE-36bf7dba-26
0.257
MAK-UNK-ca11b4f7-1
0.257
MAR-TRE-36bf7dba-100
0.256
MAR-TRE-36bf7dba-29
0.256
RAL-MED-9a5eb9cb-6
0.256
NIM-UNI-bb9030bf-16
0.253
MAK-UNK-d1e89583-5
0.253
MAR-TRE-2fd8122f-99
0.253
RAL-MED-9a5eb9cb-7
0.250
MAK-UNK-d1e89583-2
0.250
JAN-GHE-76def03c-3
0.250
MAR-TRE-36bf7dba-46
0.250
MAR-TRE-36bf7dba-21
0.248