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DocumentationIdentifier: MM267521
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267521 |
| SMILES |
C=COC(C)=CC(C)C#N
|
| InChIKey |
XQHTYJWZMGAERJ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.21
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 | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8704 |
| Dice metric | 0.87 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267447
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Similarity to MM267447
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8558 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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