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DocumentationIdentifier: MM16012
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16012 |
| SMILES |
C#CC(=O)C(C#C)C=O
|
| InChIKey |
ORSNVBYHJKHHAF-UHFFFAOYSA-N
|
| MW [Da] |
120.11
Automatically obtained from RDkit software. |
| LogP |
-0.36
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 | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7209 |
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| Cosine metric | 0.8491 |
| Dice metric | 0.8378 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.02 |
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| AI: | 0
Total active interactions
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Similarity to MM16027
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8378 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
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+150 more
