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DocumentationIdentifier: MM252762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252762 |
| SMILES |
C=C(F)C#CC(F)CC=O
|
| InChIKey |
JIFPXDFGQXVYCM-UHFFFAOYSA-N
|
| MW [Da] |
144.12
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46916
Similarity: 0.7714
Similarity to MM46916
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252715
Similarity: 0.7034
Similarity to MM252715
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8259 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154615
Similarity: 0.6762
Similarity to MM154615
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8068 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+530 more
