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DocumentationIdentifier: MM43305
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43305 |
| SMILES |
C#CC(=O)OC(=C)C=O
|
| InChIKey |
BJQFHZXDLQEJRS-UHFFFAOYSA-N
|
| MW [Da] |
124.1
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264896
Similarity: 0.8065
Similarity to MM264896
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104680
Similarity: 0.75
Similarity to MM104680
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80794
Similarity: 0.7246
Similarity to MM80794
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8403 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
