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DocumentationIdentifier: MM15892
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15892 |
| SMILES |
C#CC(COC)C(C)=O
|
| InChIKey |
JIOYPUCAEYVRIM-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM393708
Similarity: 0.8279
Similarity to MM393708
| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9058 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15893
Similarity: 0.771
Similarity to MM15893
| Tanimoto metric | 0.771 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388982
Similarity: 0.6352
Similarity to MM388982
| Tanimoto metric | 0.6352 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7769 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
