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DocumentationIdentifier: MM216986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216986 |
| SMILES |
CC=CCN1CC1C#N
|
| InChIKey |
FGZMPRNCRAYNBX-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.77
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 | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.38 |
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|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.16 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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