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DocumentationIdentifier: MM369658
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369658 |
| SMILES |
C#CC=CC#CC(F)=CC
|
| InChIKey |
LXUGQJJSMHYKTL-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170934
Similarity: 0.8841
Similarity to MM170934
| Tanimoto metric | 0.8841 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9385 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284573
Similarity: 0.8816
Similarity to MM284573
| Tanimoto metric | 0.8816 |
|---|---|
| Cosine metric | 0.9376 |
| Dice metric | 0.9371 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154753
Similarity: 0.8261
Similarity to MM154753
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 120.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+519 more
