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DocumentationIdentifier: MM35282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35282 |
| SMILES |
N#CC(F)(C=O)C=O
|
| InChIKey |
UNQWYMIUIGTDGF-UHFFFAOYSA-N
|
| MW [Da] |
115.06
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25763
Similarity: 0.8065
Similarity to MM25763
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 101.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35283
Similarity: 0.6849
Similarity to MM35283
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.813 |
| Dice metric | 0.813 |
| MW: | 112.06 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25762
Similarity: 0.5806
Similarity to MM25762
| Tanimoto metric | 0.5806 |
|---|---|
| Cosine metric | 0.762 |
| Dice metric | 0.7347 |
| MW: | 104.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
