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DocumentationIdentifier: MM80226
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80226 |
| SMILES |
C#CC(C=O)OC(=O)CF
|
| InChIKey |
KXUOTOUVMVKQEJ-UHFFFAOYSA-N
|
| MW [Da] |
144.1
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44573
Similarity: 0.7538
Similarity to MM44573
| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15686
Similarity: 0.649
Similarity to MM15686
| Tanimoto metric | 0.649 |
|---|---|
| Cosine metric | 0.7879 |
| Dice metric | 0.7871 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227177
Similarity: 0.6225
Similarity to MM227177
| Tanimoto metric | 0.6225 |
|---|---|
| Cosine metric | 0.7688 |
| Dice metric | 0.7673 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
