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DocumentationIdentifier: MM221187
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221187 |
| SMILES |
COCC(=O)CC(C)(F)F
|
| InChIKey |
FOIYJWBTOTVKDZ-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
1.25
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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MM39974
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Similarity to MM39974
| Tanimoto metric | 0.7851 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8796 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135357
Similarity: 0.6529
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| Tanimoto metric | 0.6529 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.79 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM226982
Similarity: 0.6038
Similarity to MM226982
| Tanimoto metric | 0.6038 |
|---|---|
| Cosine metric | 0.7539 |
| Dice metric | 0.7529 |
| MW: | 149.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
