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DocumentationIdentifier: MM35577
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35577 |
| SMILES |
C#CC(=O)C(O)CF
|
| InChIKey |
WCEZDICRMMZDEK-UHFFFAOYSA-N
|
| MW [Da] |
116.09
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53391
Similarity: 0.7
Similarity to MM53391
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358755
Similarity: 0.6667
Similarity to MM358755
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90493
Similarity: 0.6667
Similarity to MM90493
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 144.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
