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DocumentationIdentifier: MM59217
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59217 |
| SMILES |
C#CC(N)C(F)(F)F
|
| InChIKey |
NZCMEDZNJICJSK-UHFFFAOYSA-N
|
| MW [Da] |
123.08
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146817
Similarity: 0.7848
Similarity to MM146817
| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8794 |
| MW: | 137.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231685
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Similarity to MM231685
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8212 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM131048
Similarity: 0.6813
Similarity to MM131048
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8254 |
| Dice metric | 0.8105 |
| MW: | 137.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
