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DocumentationIdentifier: MM329057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329057 |
| SMILES |
C#CC(=C)CC(CF)CF
|
| InChIKey |
UKFQVDPZZDXESQ-UHFFFAOYSA-N
|
| MW [Da] |
144.16
Automatically obtained from RDkit software. |
| LogP |
2.12
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 | 0.8913 |
|---|---|
| Cosine metric | 0.9441 |
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| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 2.56 |
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Total passive interactions
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| LogP: | 2.51 |
||||
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