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DocumentationIdentifier: MM155120
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155120 |
| SMILES |
CC(F)=CC#CC=CF
|
| InChIKey |
JRSOZDZIYZNEFX-UHFFFAOYSA-N
|
| MW [Da] |
128.12
Automatically obtained from RDkit software. |
| LogP |
2.35
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 | 0.9259 |
|---|---|
| Cosine metric | 0.9615 |
| Dice metric | 0.9615 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 2.05 |
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|---|---|
| Cosine metric | 0.913 |
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| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
