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DocumentationIdentifier: MM356425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356425 |
| SMILES |
O=COCC(F)CC=CF
|
| InChIKey |
RWIKMZCFQWHAOG-UHFFFAOYSA-N
|
| MW [Da] |
150.12
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155949
Similarity: 0.8182
Similarity to MM155949
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250794
Similarity: 0.6328
Similarity to MM250794
| Tanimoto metric | 0.6328 |
|---|---|
| Cosine metric | 0.7762 |
| Dice metric | 0.7751 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112698
Similarity: 0.6162
Similarity to MM112698
| Tanimoto metric | 0.6162 |
|---|---|
| Cosine metric | 0.785 |
| Dice metric | 0.7625 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
