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DocumentationIdentifier: MM260930
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260930 |
| SMILES |
CC(=O)COC=C(F)C=O
|
| InChIKey |
KDNYNMPSYQHNEF-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171173
Similarity: 0.783
Similarity to MM171173
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8783 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49876
Similarity: 0.7358
Similarity to MM49876
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 132.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260552
Similarity: 0.7295
Similarity to MM260552
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8436 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
