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DocumentationIdentifier: MM412212
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412212 |
| SMILES |
C=CCOCC(=CF)CC
|
| InChIKey |
DVZJDEZQTSYYMY-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.45
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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MM199787
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| Tanimoto metric | 0.9011 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.948 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
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Total active interactions
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MM341827
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| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8683 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
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Total active interactions
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