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DocumentationIdentifier: MM386136
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386136 |
| SMILES |
CCOC(C#N)=CCC#N
|
| InChIKey |
PFSNPNYJACRVRI-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.34
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 | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.95 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 2.23 |
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Total passive interactions
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| LogP: | 0.81 |
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+331 more
