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DocumentationIdentifier: MM37249
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37249 |
| SMILES |
CCC(=O)C#CC=O
|
| InChIKey |
YEDZTLDROYAXLS-UHFFFAOYSA-N
|
| MW [Da] |
110.11
Automatically obtained from RDkit software. |
| LogP |
0.17
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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MM146161
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Similarity to MM146161
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM323659
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| Tanimoto metric | 0.8125 |
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| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.95 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM26741
Similarity: 0.8077
Similarity to MM26741
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
