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Documentation4-Methylbenzoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00610 |
| SMILES |
Cc1ccc(C(=O)O)cc1
|
| InChIKey |
LPNBBFKOUUSUDB-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
7470
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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Alpha-Hydroxy-p-Toluic Acid
Similarity: 0.969
Similarity to Alpha-Hydroxy-p-Toluic Acid
| Tanimoto metric | 0.969 |
|---|---|
| Cosine metric | 0.9844 |
| Dice metric | 0.9843 |
| MW: | 152.15 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
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| LogP: | 0.88 |
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| AI: | 0
Total active interactions
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Alpha-Methoxy-p-Toluic Acid
Similarity: 0.8389
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| Tanimoto metric | 0.8389 |
|---|---|
| Cosine metric | 0.9159 |
| Dice metric | 0.9124 |
| MW: | 166.18 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
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| LogP: | 1.53 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Benzoic Acid
Similarity: 0.832
Similarity to Benzoic Acid
| Tanimoto metric | 0.832 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9083 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 16
Total passive interactions
|
| LogP: | 1.38 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+34 more
