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DocumentationIdentifier: MM379652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379652 |
| SMILES |
C#CC#CC(CF)CCF
|
| InChIKey |
QXKKAXSXEKFRPA-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178340
Similarity: 0.8046
Similarity to MM178340
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433706
Similarity: 0.7292
Similarity to MM433706
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8434 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379523
Similarity: 0.7143
Similarity to MM379523
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8333 |
| MW: | 150.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+615 more
