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DocumentationIdentifier: MM34769
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34769 |
| SMILES |
C=C(C)C(=O)C=CN
|
| InChIKey |
FAXOFADAHGTJQA-UHFFFAOYSA-N
|
| MW [Da] |
111.14
Automatically obtained from RDkit software. |
| LogP |
0.6
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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MM175008
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| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7667 |
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| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.11 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM163425
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| Tanimoto metric | 0.7582 |
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| Cosine metric | 0.8708 |
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| MW: | 125.17 |
||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.86 |
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| AI: | 0
Total active interactions
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+300 more
