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DocumentationIdentifier: MM349332
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349332 |
| SMILES |
C=CC(=O)C(C)C(C)OC
|
| InChIKey |
HPSSIEGKFSRYMM-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.41
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 | 0.7133 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8327 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
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| AI: | 0
Total active interactions
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|---|---|
| Cosine metric | 0.7877 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.15 |
||||
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