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DocumentationIdentifier: MM93704
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93704 |
| SMILES |
COC(=O)C#CC#CC=O
|
| InChIKey |
WUZDHGQNLXRSJY-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93695
Similarity: 0.9487
Similarity to MM93695
| Tanimoto metric | 0.9487 |
|---|---|
| Cosine metric | 0.9737 |
| Dice metric | 0.9737 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170882
Similarity: 0.9474
Similarity to MM170882
| Tanimoto metric | 0.9474 |
|---|---|
| Cosine metric | 0.9733 |
| Dice metric | 0.973 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369390
Similarity: 0.8571
Similarity to MM369390
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9231 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+267 more
