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DocumentationIdentifier: MM323639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323639 |
| SMILES |
C#CC(=O)C#CC(F)C#C
|
| InChIKey |
VGGQFOSTFQLSBP-UHFFFAOYSA-N
|
| MW [Da] |
134.11
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146140
Similarity: 0.8667
Similarity to MM146140
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146078
Similarity: 0.8556
Similarity to MM146078
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253042
Similarity: 0.7959
Similarity to MM253042
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8866 |
| Dice metric | 0.8864 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
