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DocumentationIdentifier: MM138632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138632 |
| SMILES |
CC(F)(C#N)CC=CF
|
| InChIKey |
AXUWBYJZYUNVNK-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
2.11
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 | 0.7845 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8792 |
| MW: | 145.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 1.81 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.36 |
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