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DocumentationIdentifier: MM229862
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229862 |
| SMILES |
C#CC(F)(C=O)C(F)(F)F
|
| InChIKey |
WHKPEWUVBMGQPJ-UHFFFAOYSA-N
|
| MW [Da] |
154.06
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139954
Similarity: 0.8271
Similarity to MM139954
| Tanimoto metric | 0.8271 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 136.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229873
Similarity: 0.589
Similarity to MM229873
| Tanimoto metric | 0.589 |
|---|---|
| Cosine metric | 0.7495 |
| Dice metric | 0.7414 |
| MW: | 150.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229852
Similarity: 0.5822
Similarity to MM229852
| Tanimoto metric | 0.5822 |
|---|---|
| Cosine metric | 0.7445 |
| Dice metric | 0.7359 |
| MW: | 158.05 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
