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DocumentationIdentifier: MM114627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114627 |
| SMILES |
C#CC(=O)C#CCC
|
| InChIKey |
GIDLKZWVGOOLGO-UHFFFAOYSA-N
|
| MW [Da] |
106.12
Automatically obtained from RDkit software. |
| LogP |
0.6
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 | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158743
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| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
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| MW: | 120.15 |
||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+268 more
