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DocumentationIdentifier: MM366414
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366414 |
| SMILES |
C=CC(C)CCCC=CC
|
| InChIKey |
IASUKQNKWMOWGV-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.55
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 | 0.8333 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9091 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 3.39 |
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Total active interactions
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 3.39 |
||||
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