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DocumentationIdentifier: MM221027
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221027 |
| SMILES |
CC(=O)OC=CC(C)(F)F
|
| InChIKey |
AQVDYUXNQOEYKL-UHFFFAOYSA-N
|
| MW [Da] |
150.12
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131844
Similarity: 0.7596
Similarity to MM131844
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8634 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259997
Similarity: 0.7
Similarity to MM259997
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8237 |
| Dice metric | 0.8235 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259998
Similarity: 0.6935
Similarity to MM259998
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8191 |
| Dice metric | 0.819 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
