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DocumentationIdentifier: MM237776
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237776 |
| SMILES |
C#CC#CC(=O)CC(C)F
|
| InChIKey |
PBBOFKIGXLRQBE-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135930
Similarity: 0.8505
Similarity to MM135930
| Tanimoto metric | 0.8505 |
|---|---|
| Cosine metric | 0.9222 |
| Dice metric | 0.9192 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237746
Similarity: 0.7913
Similarity to MM237746
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8835 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237747
Similarity: 0.7583
Similarity to MM237747
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8626 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
