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DocumentationIdentifier: MM160944
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160944 |
| SMILES |
C#CC(C)C(=O)C(C)C
|
| InChIKey |
DHWCJGUULXZFSX-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
1.48
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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MM112047
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| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9143 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.85 |
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Total active interactions
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| Tanimoto metric | 0.7447 |
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| Cosine metric | 0.8629 |
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+572 more
