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DocumentationIdentifier: MM159434
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159434 |
| SMILES |
C#CC=C(F)C#CC=O
|
| InChIKey |
UTUJIVKRXJWKAM-UHFFFAOYSA-N
|
| MW [Da] |
122.1
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114649
Similarity: 0.8312
Similarity to MM114649
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292564
Similarity: 0.8256
Similarity to MM292564
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9046 |
| Dice metric | 0.9045 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171714
Similarity: 0.7738
Similarity to MM171714
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.8725 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
