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DocumentationIdentifier: MM275306
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275306 |
| SMILES |
CCC(CC(C)=O)C(C)=O
|
| InChIKey |
PYXFYLDTQFWCCK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133694
Similarity: 0.859
Similarity to MM133694
| Tanimoto metric | 0.859 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9241 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149986
Similarity: 0.8077
Similarity to MM149986
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253874
Similarity: 0.7556
Similarity to MM253874
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8608 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
