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DocumentationIdentifier: MM35380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35380 |
| SMILES |
O=CC(F)C(O)CO
|
| InChIKey |
VIEDXEQADFNGLU-UHFFFAOYSA-N
|
| MW [Da] |
122.1
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50006
Similarity: 0.7477
Similarity to MM50006
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8556 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348551
Similarity: 0.6299
Similarity to MM348551
| Tanimoto metric | 0.6299 |
|---|---|
| Cosine metric | 0.7937 |
| Dice metric | 0.7729 |
| MW: | 150.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26963
Similarity: 0.625
Similarity to MM26963
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7692 |
| MW: | 108.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
