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Documentation7-Phenylheptanoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01293 |
| SMILES |
O=C(O)CCCCCCc1ccccc1
|
| InChIKey |
ZVSXKFNTWOIGJI-UHFFFAOYSA-N
|
| MW [Da] |
206.29
Automatically obtained from RDkit software. |
| LogP |
3.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
520987
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8272 |
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| Cosine metric | 0.9059 |
| Dice metric | 0.9054 |
| MW: | 178.23 |
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| PI: | 7
Total passive interactions
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| LogP: | 2.48 |
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| Cosine metric | 0.819 |
| Dice metric | 0.8179 |
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| LogP: | 2.09 |
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+29 more
