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DocumentationIdentifier: MM323572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323572 |
| SMILES |
C#CC(F)C#CC(=O)CF
|
| InChIKey |
FRTLAAPPYXMAJM-UHFFFAOYSA-N
|
| MW [Da] |
142.1
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146098
Similarity: 0.8119
Similarity to MM146098
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146078
Similarity: 0.7624
Similarity to MM146078
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8652 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253033
Similarity: 0.7064
Similarity to MM253033
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.828 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
