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DocumentationIdentifier: MM172199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172199 |
| SMILES |
C=COC(C)C(F)C=O
|
| InChIKey |
CSPNIUSKEIUZTH-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02672
Similarity: 0.7523
Similarity to MM02672
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377228
Similarity: 0.6987
Similarity to MM377228
| Tanimoto metric | 0.6987 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8226 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376848
Similarity: 0.6899
Similarity to MM376848
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8306 |
| Dice metric | 0.8165 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+159 more
