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DocumentationIdentifier: MM114779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114779 |
| SMILES |
CCOC=C(F)C=O
|
| InChIKey |
CQILUWAYMCGVSB-UHFFFAOYSA-N
|
| MW [Da] |
118.11
Automatically obtained from RDkit software. |
| LogP |
1.03
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 | 0.859 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9241 |
| MW: | 132.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8375 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.2 |
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MM171174
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Similarity to MM171174
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
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| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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