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DocumentationIdentifier: MM351494
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351494 |
| SMILES |
C=C(C(C)C#N)C(C)C#N
|
| InChIKey |
XUPPNOGWMVJTEK-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.86
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 | 0.9211 |
|---|---|
| Cosine metric | 0.9597 |
| Dice metric | 0.9589 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.62 |
||||
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| AI: | 0
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Total passive interactions
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Total passive interactions
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| LogP: | 2.75 |
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