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DocumentationIdentifier: MM216819
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216819 |
| SMILES |
N#CCCN1CC1C#N
|
| InChIKey |
ZPWPAQJADPMGOK-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
0.11
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 | 0.9293 |
|---|---|
| Cosine metric | 0.964 |
| Dice metric | 0.9634 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.99 |
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Total active interactions
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| Cosine metric | 0.8795 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+129 more
