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DocumentationIdentifier: MM102159
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102159 |
| SMILES |
CNCCN1CC1
|
| InChIKey |
NBCUUUHWGYGHNW-UHFFFAOYSA-N
|
| MW [Da] |
100.17
Automatically obtained from RDkit software. |
| LogP |
-0.48
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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MM121215
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| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
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| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | -0.09 |
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Total passive interactions
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| LogP: | -0.38 |
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