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DocumentationIdentifier: MM272307
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272307 |
| SMILES |
CCC(CC=O)CC(=N)N
|
| InChIKey |
XOPKOKASZGAFOX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.93
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 | 0.7429 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8525 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| LogP: | 1.75 |
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Total passive interactions
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| LogP: | 0.78 |
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