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DocumentationIdentifier: MM83980
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83980 |
| SMILES |
C#CC#CC(=O)OCCO
|
| InChIKey |
IJGURDBCGLJOJT-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-0.84
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: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8352 |
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| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358991
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Similarity to MM358991
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8686 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
