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DocumentationIdentifier: MM323305
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323305 |
| SMILES |
C=CC(=O)C#CC(F)CF
|
| InChIKey |
DAUJJVPOOMERHA-UHFFFAOYSA-N
|
| MW [Da] |
144.12
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146019
Similarity: 0.7364
Similarity to MM146019
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8482 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323504
Similarity: 0.704
Similarity to MM323504
| Tanimoto metric | 0.704 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8263 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225314
Similarity: 0.6794
Similarity to MM225314
| Tanimoto metric | 0.6794 |
|---|---|
| Cosine metric | 0.8091 |
| Dice metric | 0.8091 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
