3,4-Dihydroxyphenylacetic Acid
2D Structure
3D Structure
Source:
General | |
Identifier | MM00602 |
SMILES |
O=C(O)Cc1ccc(O)c(O)c1
|
InChIKey |
CFFZDZCDUFSOFZ-UHFFFAOYSA-N
|
MW [Da] |
168.15
Automatically obtained from RDkit software. |
LogP |
0.72
Automatically obtained from RDkit software. |
Links | |
PubChem |
547
|
DrugBank |
DB01702
|
ChEBI |
41941
|
PDB |
DHY
|
ChEMBL |
CHEMBL1284
|
Similar entries
3-Hydroxyphenylacetic Acid
Similarity: 0.8155
Similarity to 3-Hydroxyphenylacetic Acid
Tanimoto metric | 0.8155 |
---|---|
Cosine metric | 0.903 |
Dice metric | 0.8983 |
MW: | 152.15 |
||||
---|---|---|---|---|---|
PI: | 11
Total passive interactions
|
LogP: | 1.02 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
4-hydroxyphenylacetic Acid
Similarity: 0.7039
Similarity to 4-hydroxyphenylacetic Acid
Tanimoto metric | 0.7039 |
---|---|
Cosine metric | 0.839 |
Dice metric | 0.8262 |
MW: | 152.15 |
||||
---|---|---|---|---|---|
PI: | 8
Total passive interactions
|
LogP: | 1.02 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
Methyl 4-hydroxyphenylacetate
Similarity: 0.6371
Similarity to Methyl 4-hydroxyphenylacetate
Tanimoto metric | 0.6371 |
---|---|
Cosine metric | 0.7821 |
Dice metric | 0.7783 |
MW: | 166.18 |
||||
---|---|---|---|---|---|
PI: | 4
Total passive interactions
|
LogP: | 1.11 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+27 more