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DocumentationIdentifier: MM258698
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258698 |
| SMILES |
C#CC(=O)COCC(C)=O
|
| InChIKey |
HDSKLOFXVGFLNJ-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.21
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 | 0.9459 |
|---|---|
| Cosine metric | 0.9726 |
| Dice metric | 0.9722 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM167041
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| Tanimoto metric | 0.9189 |
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| Cosine metric | 0.9586 |
| Dice metric | 0.9577 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM152881
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Similarity to MM152881
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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