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Documentation4-n-butylphenol
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00155 |
| SMILES |
CCCCc1ccc(O)cc1
|
| InChIKey |
CYYZDBDROVLTJU-UHFFFAOYSA-N
|
| MW [Da] |
150.22
Automatically obtained from RDkit software. |
| LogP |
2.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
15420
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8689 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 7
Total passive interactions
|
| LogP: | 1.95 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Tyramine
Similarity: 0.6625
Similarity to Tyramine
| Tanimoto metric | 0.6625 |
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| Cosine metric | 0.7976 |
| Dice metric | 0.797 |
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| PI: | 1
Total passive interactions
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| LogP: | 0.89 |
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| AI: | 1
Total active interactions
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| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7757 |
| Dice metric | 0.7711 |
| MW: | 149.24 |
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|---|---|---|---|---|---|
| PI: | 9
Total passive interactions
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| LogP: | 1.97 |
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| AI: | 0
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+45 more
