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DocumentationIdentifier: MM111448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111448 |
| SMILES |
C#CC(F)(C#C)CF
|
| InChIKey |
YHDCRKPFIAGVFH-UHFFFAOYSA-N
|
| MW [Da] |
114.09
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97284
Similarity: 0.7931
Similarity to MM97284
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 104.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139966
Similarity: 0.716
Similarity to MM139966
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8345 |
| MW: | 132.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25784
Similarity: 0.6207
Similarity to MM25784
| Tanimoto metric | 0.6207 |
|---|---|
| Cosine metric | 0.7878 |
| Dice metric | 0.766 |
| MW: | 96.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
