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DocumentationIdentifier: MM163842
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163842 |
| SMILES |
CC(F)C(F)=COC=O
|
| InChIKey |
PCRSWXARAZCYEZ-UHFFFAOYSA-N
|
| MW [Da] |
136.1
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360094
Similarity: 0.7556
Similarity to MM360094
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 151.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114737
Similarity: 0.6569
Similarity to MM114737
| Tanimoto metric | 0.6569 |
|---|---|
| Cosine metric | 0.8105 |
| Dice metric | 0.7929 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114739
Similarity: 0.6471
Similarity to MM114739
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.7857 |
| MW: | 122.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
