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DocumentationIdentifier: MM197285
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197285 |
| SMILES |
O=CC(CO)C(=O)CF
|
| InChIKey |
QBDSBRBFKXQISV-UHFFFAOYSA-N
|
| MW [Da] |
134.11
Automatically obtained from RDkit software. |
| LogP |
-0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378050
Similarity: 0.7717
Similarity to MM378050
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8711 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111694
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Similarity to MM111694
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM449503
Similarity: 0.5849
Similarity to MM449503
| Tanimoto metric | 0.5849 |
|---|---|
| Cosine metric | 0.7486 |
| Dice metric | 0.7381 |
| MW: | 132.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
