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DocumentationIdentifier: MM48398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48398 |
| SMILES |
CC(O)C(F)=COC=O
|
| InChIKey |
ORIDOWMSPGNMDV-UHFFFAOYSA-N
|
| MW [Da] |
134.11
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360092
Similarity: 0.8062
Similarity to MM360092
| Tanimoto metric | 0.8062 |
|---|---|
| Cosine metric | 0.8979 |
| Dice metric | 0.8927 |
| MW: | 152.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108807
Similarity: 0.7788
Similarity to MM108807
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8757 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163840
Similarity: 0.675
Similarity to MM163840
| Tanimoto metric | 0.675 |
|---|---|
| Cosine metric | 0.8065 |
| Dice metric | 0.806 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
