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DocumentationIdentifier: MM229863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229863 |
| SMILES |
C#CC(F)(C#N)C(F)(F)F
|
| InChIKey |
FWAHYDKSVBQTKP-UHFFFAOYSA-N
|
| MW [Da] |
151.06
Automatically obtained from RDkit software. |
| LogP |
1.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139955
Similarity: 0.8235
Similarity to MM139955
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 133.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111446
Similarity: 0.5882
Similarity to MM111446
| Tanimoto metric | 0.5882 |
|---|---|
| Cosine metric | 0.767 |
| Dice metric | 0.7407 |
| MW: | 115.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229854
Similarity: 0.5839
Similarity to MM229854
| Tanimoto metric | 0.5839 |
|---|---|
| Cosine metric | 0.746 |
| Dice metric | 0.7373 |
| MW: | 152.05 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+67 more
