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DocumentationBenzene-1,2,3-triol
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00300 |
| SMILES |
Oc1cccc(O)c1O
|
| InChIKey |
WQGWDDDVZFFDIG-UHFFFAOYSA-N
|
| MW [Da] |
126.11
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
1057
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.879 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
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| LogP: | 0.8 |
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| AI: | 0
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Similarity: 0.75
Similarity to Catechol
| Tanimoto metric | 0.75 |
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| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 110.11 |
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|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
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| LogP: | 1.1 |
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| AI: | 0
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Similarity: 0.7105
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| Tanimoto metric | 0.7105 |
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| Cosine metric | 0.8429 |
| Dice metric | 0.8308 |
| MW: | 110.11 |
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Total passive interactions
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| LogP: | 1.1 |
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+15 more
