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DocumentationIdentifier: MM116000
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116000 |
| SMILES |
CCCC(C#N)CC
|
| InChIKey |
WEZFYBVBPAUJAL-UHFFFAOYSA-N
|
| MW [Da] |
111.19
Automatically obtained from RDkit software. |
| LogP |
2.34
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 | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
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Total passive interactions
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| LogP: | 2.58 |
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Total passive interactions
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| LogP: | 2.73 |
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