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Documentation2-methylphenol
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01283 |
| SMILES |
Cc1ccccc1O
|
| InChIKey |
QWVGKYWNOKOFNN-UHFFFAOYSA-N
|
| MW [Da] |
108.14
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
335
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 122.17 |
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| PI: | 5
Total passive interactions
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| LogP: | 2.01 |
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| AI: | 0
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P-Cresol
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Similarity to P-Cresol
| Tanimoto metric | 0.6907 |
|---|---|
| Cosine metric | 0.8201 |
| Dice metric | 0.8171 |
| MW: | 108.14 |
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|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
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| LogP: | 1.7 |
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| AI: | 0
Total active interactions
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Similarity: 0.6827
Similarity to 3-Methylphenol
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.8114 |
| MW: | 108.14 |
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| PI: | 6
Total passive interactions
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| LogP: | 1.7 |
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+38 more
