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DocumentationIdentifier: MM47341
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47341 |
| SMILES |
CC(C)(C#N)NCCO
|
| InChIKey |
YCADCBJTVOGBQO-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.13
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 | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
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| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.26 |
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|---|---|---|---|---|---|
| AI: | 0
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Total passive interactions
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