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DocumentationIdentifier: MM126378
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126378 |
| SMILES |
NCCCC#CCF
|
| InChIKey |
OKUZKAYVYKJPAP-UHFFFAOYSA-N
|
| MW [Da] |
115.15
Automatically obtained from RDkit software. |
| LogP |
0.7
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 | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.99 |
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| AI: | 0
Total active interactions
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| PI: | 2
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||||
|---|---|---|---|---|---|
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| LogP: | 1.09 |
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