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DocumentationIdentifier: MM133819
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133819 |
| SMILES |
CC(C)CC(=O)C(C)C
|
| InChIKey |
TUIWMHDSXJWXOH-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
2.26
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 | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9014 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.65 |
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Total active interactions
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MM104431
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| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
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| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.01 |
||||
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