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DocumentationIdentifier: MM111661
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111661 |
| SMILES |
C#CC(C)C(C)C#N
|
| InChIKey |
QTDWNPCHBBNXCB-UHFFFAOYSA-N
|
| MW [Da] |
107.16
Automatically obtained from RDkit software. |
| LogP |
1.42
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 | 0.8475 |
|---|---|
| Cosine metric | 0.9206 |
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| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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Total passive interactions
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| LogP: | 0.92 |
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+719 more
