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DocumentationIdentifier: MM100969
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100969 |
| SMILES |
CC#CC=COC
|
| InChIKey |
VIIKVNNELZKRAU-UHFFFAOYSA-N
|
| MW [Da] |
96.13
Automatically obtained from RDkit software. |
| LogP |
1.17
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 | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.31 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+566 more
