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DocumentationIdentifier: MM359808
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359808 |
| SMILES |
C#CC=CC(=O)C#CC=O
|
| InChIKey |
UIUHXOLVKIVEAU-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM158281
Similarity: 0.8621
Similarity to MM158281
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158705
Similarity: 0.8506
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| Tanimoto metric | 0.8506 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9193 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282579
Similarity: 0.7979
Similarity to MM282579
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8876 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
