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DocumentationIdentifier: MM146401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM146401 |
| SMILES |
CCC(=N)NC=C(C)C
|
| InChIKey |
GLTXIQAZPCOHAS-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.89
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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|---|---|
| Cosine metric | 0.9071 |
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| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
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| AI: | 0
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