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DocumentationIdentifier: MM274724
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274724 |
| SMILES |
N#CC(=CC(N)=O)NC=O
|
| InChIKey |
LKZOCESLOSRASU-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-1.37
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 | 0.7111 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8312 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
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Total active interactions
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|---|---|
| Cosine metric | 0.7796 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+100 more
