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DocumentationIdentifier: MM222425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222425 |
| SMILES |
CC(C)(OC=O)C(F)(F)F
|
| InChIKey |
DEMDWXJIAPKEQC-UHFFFAOYSA-N
|
| MW [Da] |
156.1
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132643
Similarity: 0.8077
Similarity to MM132643
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108128
Similarity: 0.5962
Similarity to MM108128
| Tanimoto metric | 0.5962 |
|---|---|
| Cosine metric | 0.7721 |
| Dice metric | 0.747 |
| MW: | 124.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103021
Similarity: 0.5769
Similarity to MM103021
| Tanimoto metric | 0.5769 |
|---|---|
| Cosine metric | 0.7596 |
| Dice metric | 0.7317 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
