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DocumentationIdentifier: MM135753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135753 |
| SMILES |
CC=CC(O)CC(N)=O
|
| InChIKey |
YQRZMZDJPGRYBU-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.2
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 | 0.8899 |
|---|---|
| Cosine metric | 0.9433 |
| Dice metric | 0.9417 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8852 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.59 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7293 |
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| Cosine metric | 0.854 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+280 more
