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DocumentationIdentifier: MM97516
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97516 |
| SMILES |
CC(=O)OC=CF
|
| InChIKey |
IKADLZBPIBLWPZ-UHFFFAOYSA-N
|
| MW [Da] |
104.08
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103658
Similarity: 0.7667
Similarity to MM103658
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 122.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113691
Similarity: 0.7188
Similarity to MM113691
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 120.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113689
Similarity: 0.697
Similarity to MM113689
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
