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DocumentationIdentifier: MM156421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156421 |
| SMILES |
CCCN=C(N)CC=O
|
| InChIKey |
ZYCWEXSWDJDCTO-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
0.34
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 | 0.8721 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9317 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
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Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.59 |
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Total active interactions
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+132 more
