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DocumentationIdentifier: MM266714
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266714 |
| SMILES |
CC(O)CN1CC1(C)C#N
|
| InChIKey |
MIWUDTNSHQWGSA-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.03
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 | 0.7806 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8768 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 0.99 |
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MM266927
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|---|---|
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| Dice metric | 0.8368 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | -0.43 |
||||
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| AI: | 0
Total active interactions
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