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DocumentationIdentifier: MM112667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112667 |
| SMILES |
N=CNCC(F)CN
|
| InChIKey |
HCJPBLABGIVKPP-UHFFFAOYSA-N
|
| MW [Da] |
119.14
Automatically obtained from RDkit software. |
| LogP |
-0.52
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 | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 104.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.54 |
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| AI: | 0
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Total passive interactions
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| LogP: | -0.08 |
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Total passive interactions
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| LogP: | -0.13 |
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