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DocumentationIdentifier: MM283035
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283035 |
| SMILES |
N#CCC(=O)C#CC=CF
|
| InChIKey |
FWAZNALQQOWJNG-UHFFFAOYSA-N
|
| MW [Da] |
137.11
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158591
Similarity: 0.8182
Similarity to MM158591
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170805
Similarity: 0.7879
Similarity to MM170805
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283033
Similarity: 0.7273
Similarity to MM283033
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8421 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
