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DocumentationIdentifier: MM162506
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162506 |
| SMILES |
O=COCC(=O)C(F)F
|
| InChIKey |
OEHFDRJTBYZTHK-UHFFFAOYSA-N
|
| MW [Da] |
138.07
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108352
Similarity: 0.8125
Similarity to MM108352
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 124.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113187
Similarity: 0.75
Similarity to MM113187
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 120.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132095
Similarity: 0.6771
Similarity to MM132095
| Tanimoto metric | 0.6771 |
|---|---|
| Cosine metric | 0.8075 |
| Dice metric | 0.8075 |
| MW: | 142.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
