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DocumentationIdentifier: MM153583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153583 |
| SMILES |
C=COC=CCC(C)C
|
| InChIKey |
OPQQDLYILXGPMI-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.71
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 | 0.9245 |
|---|---|
| Cosine metric | 0.9615 |
| Dice metric | 0.9608 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.19 |
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Total active interactions
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| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+664 more
