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DocumentationIdentifier: MM178168
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178168 |
| SMILES |
C=CCC(C=CC)CC
|
| InChIKey |
RQZQLVYTGKPVLP-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
3.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.55 |
||||
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| AI: | 0
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Total passive interactions
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| LogP: | 3.16 |
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Total passive interactions
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| LogP: | 2.77 |
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