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DocumentationIdentifier: MM142843
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142843 |
| SMILES |
C=CC(=O)OC(=C)C#N
|
| InChIKey |
YENQKAGAGMQTRZ-UHFFFAOYSA-N
|
| MW [Da] |
123.11
Automatically obtained from RDkit software. |
| LogP |
0.75
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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| Tanimoto metric | 0.8031 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8908 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8566 |
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| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
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Total active interactions
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| Tanimoto metric | 0.7338 |
|---|---|
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| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
