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DocumentationIdentifier: MM243786
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243786 |
| SMILES |
C#CC(F)(CC#N)C(F)F
|
| InChIKey |
XHFAFZUSLNLIKO-UHFFFAOYSA-N
|
| MW [Da] |
147.1
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM243742
Similarity: 0.5027
Similarity to MM243742
| Tanimoto metric | 0.5027 |
|---|---|
| Cosine metric | 0.6693 |
| Dice metric | 0.6691 |
| MW: | 148.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243741
Similarity: 0.4947
Similarity to MM243741
| Tanimoto metric | 0.4947 |
|---|---|
| Cosine metric | 0.662 |
| Dice metric | 0.662 |
| MW: | 151.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103133
Similarity: 0.4894
Similarity to MM103133
| Tanimoto metric | 0.4894 |
|---|---|
| Cosine metric | 0.6995 |
| Dice metric | 0.6571 |
| MW: | 111.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+38 more
