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DocumentationIdentifier: MM108866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108866 |
| SMILES |
CC(=CCN)C(N)=O
|
| InChIKey |
BJWYATGRHFDJCE-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
-0.62
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 | 0.8023 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.23 |
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Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | -0.36 |
||||
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Total active interactions
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+442 more
