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DocumentationIdentifier: MM26216
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26216 |
| SMILES |
CCCC(C)C#N
|
| InChIKey |
FHBWGXDQIOWTCK-UHFFFAOYSA-N
|
| MW [Da] |
97.16
Automatically obtained from RDkit software. |
| LogP |
1.95
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 | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
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| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
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Total passive interactions
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||||
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Total passive interactions
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| LogP: | 1.45 |
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