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DocumentationIdentifier: MM35208
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35208 |
| SMILES |
O=CC(F)(C=O)CO
|
| InChIKey |
WJBQOVSLXVDSOS-UHFFFAOYSA-N
|
| MW [Da] |
120.08
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25713
Similarity: 0.8197
Similarity to MM25713
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42357
Similarity: 0.7176
Similarity to MM42357
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8356 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35130
Similarity: 0.6944
Similarity to MM35130
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8197 |
| Dice metric | 0.8197 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
