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DocumentationIdentifier: MM39974
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM39974 |
| SMILES |
CC(F)(F)CC(=O)CO
|
| InChIKey |
ALGYYRXEXNRQCP-UHFFFAOYSA-N
|
| MW [Da] |
138.11
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221187
Similarity: 0.7851
Similarity to MM221187
| Tanimoto metric | 0.7851 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8796 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM32998
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| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM226982
Similarity: 0.709
Similarity to MM226982
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.842 |
| Dice metric | 0.8297 |
| MW: | 149.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+326 more
