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DocumentationIdentifier: MM170482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170482 |
| SMILES |
C=CCC#CC(N)CC
|
| InChIKey |
GZFVHQWQEYLHBD-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.3
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 | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 1.47 |
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MM368125
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Total passive interactions
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| LogP: | 1.69 |
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