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DocumentationIdentifier: MM108823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108823 |
| SMILES |
CC(=CC#N)C(C)O
|
| InChIKey |
KMNUKZORBMKVAY-UHFFFAOYSA-N
|
| MW [Da] |
111.14
Automatically obtained from RDkit software. |
| LogP |
0.84
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 | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.34 |
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|---|---|---|---|---|---|
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+585 more
