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DocumentationIdentifier: MM227634
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227634 |
| SMILES |
C=CC(C)(O)C=C(C)C#N
|
| InChIKey |
ISQOOQGASAYLPW-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.39
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 | 0.7456 |
|---|---|
| Cosine metric | 0.8635 |
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| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 1 |
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|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+345 more
