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DocumentationIdentifier: MM138844
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138844 |
| SMILES |
CCC=CC(C)(C)C#N
|
| InChIKey |
DZQNFCOMIBCSRS-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
2.5
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 | 0.9508 |
|---|---|
| Cosine metric | 0.9751 |
| Dice metric | 0.9748 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 2.01 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.75 |
||||
|---|---|---|---|---|---|
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