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DocumentationIdentifier: MM262519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262519 |
| SMILES |
C=CCC(=O)CC(F)CO
|
| InChIKey |
QRIUAMNDOOMNRL-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42843
Similarity: 0.7672
Similarity to MM42843
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8683 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135412
Similarity: 0.7155
Similarity to MM135412
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8342 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262407
Similarity: 0.6899
Similarity to MM262407
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8165 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
