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DocumentationIdentifier: MM111719
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111719 |
| SMILES |
O=C(CO)C(O)CF
|
| InChIKey |
DBKRNFYGLUQJRJ-UHFFFAOYSA-N
|
| MW [Da] |
122.1
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160359
Similarity: 0.7551
Similarity to MM160359
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111718
Similarity: 0.6629
Similarity to MM111718
| Tanimoto metric | 0.6629 |
|---|---|
| Cosine metric | 0.7973 |
| Dice metric | 0.7973 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26352
Similarity: 0.6216
Similarity to MM26352
| Tanimoto metric | 0.6216 |
|---|---|
| Cosine metric | 0.7884 |
| Dice metric | 0.7667 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
