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DocumentationIdentifier: MM113259
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113259 |
| SMILES |
O=CCOC(=O)CF
|
| InChIKey |
XVXSRMMZDFDQIE-UHFFFAOYSA-N
|
| MW [Da] |
120.08
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
MM98066
Similarity: 0.7797
Similarity to MM98066
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97445
Similarity: 0.6441
Similarity to MM97445
| Tanimoto metric | 0.6441 |
|---|---|
| Cosine metric | 0.8025 |
| Dice metric | 0.7835 |
| MW: | 102.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113116
Similarity: 0.6438
Similarity to MM113116
| Tanimoto metric | 0.6438 |
|---|---|
| Cosine metric | 0.7834 |
| Dice metric | 0.7833 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
