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DocumentationPhenylacetic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00679 |
| SMILES |
O=C(O)Cc1ccccc1
|
| InChIKey |
WLJVXDMOQOGPHL-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
999
|
|
DrugBank |
DB09269
|
|
ChEBI |
30745
|
|
PDB |
PAC
|
|
ChEMBL |
CHEMBL1044
|
Similar entries
4-Methylphenylacetic Acid
Similarity: 0.8806
Similarity to 4-Methylphenylacetic Acid
| Tanimoto metric | 0.8806 |
|---|---|
| Cosine metric | 0.9384 |
| Dice metric | 0.9365 |
| MW: | 150.18 |
||||
|---|---|---|---|---|---|
| PI: | 6
Total passive interactions
|
| LogP: | 1.62 |
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| AI: | 0
Total active interactions
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4-hydroxyphenylacetic Acid
Similarity: 0.7195
Similarity to 4-hydroxyphenylacetic Acid
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8369 |
| MW: | 152.15 |
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|---|---|---|---|---|---|
| PI: | 8
Total passive interactions
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| LogP: | 1.02 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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3-Hydroxyphenylacetic Acid
Similarity: 0.6211
Similarity to 3-Hydroxyphenylacetic Acid
| Tanimoto metric | 0.6211 |
|---|---|
| Cosine metric | 0.7881 |
| Dice metric | 0.7662 |
| MW: | 152.15 |
||||
|---|---|---|---|---|---|
| PI: | 11
Total passive interactions
|
| LogP: | 1.02 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+12 more
