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DocumentationIdentifier: MM376638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376638 |
| SMILES |
CCCC(C=O)C(C)C=O
|
| InChIKey |
ZLFYRGQLVGZGBR-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400689
Similarity: 0.8636
Similarity to MM400689
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9268 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172046
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| Tanimoto metric | 0.8308 |
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| Cosine metric | 0.9115 |
| Dice metric | 0.9076 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM179686
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Similarity to MM179686
| Tanimoto metric | 0.8308 |
|---|---|
| Cosine metric | 0.9115 |
| Dice metric | 0.9076 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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