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Documentation4-hydroxyphenylacetic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00826 |
| SMILES |
O=C(O)Cc1ccc(O)cc1
|
| InChIKey |
XQXPVVBIMDBYFF-UHFFFAOYSA-N
|
| MW [Da] |
152.15
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
127
|
|
DrugBank |
N/A |
|
ChEBI |
CHEBI:18101
|
|
PDB |
N/A |
|
ChEMBL |
CHEMBL1772
|
Similar entries
Methyl 4-hydroxyphenylacetate
Similarity: 0.8586
Similarity to Methyl 4-hydroxyphenylacetate
| Tanimoto metric | 0.8586 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9239 |
| MW: | 166.18 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 1.11 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Phenylacetic Acid
Similarity: 0.7195
Similarity to Phenylacetic Acid
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8369 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 8
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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3-Hydroxyphenylacetic Acid
Similarity: 0.7184
Similarity to 3-Hydroxyphenylacetic Acid
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8362 |
| MW: | 152.15 |
||||
|---|---|---|---|---|---|
| PI: | 11
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
