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DocumentationIdentifier: MM346245
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346245 |
| SMILES |
C#CC(CF)(NC)C(C)=O
|
| InChIKey |
SIAMGDRBMQGINE-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196755
Similarity: 0.6114
Similarity to MM196755
| Tanimoto metric | 0.6114 |
|---|---|
| Cosine metric | 0.7819 |
| Dice metric | 0.7588 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43096
Similarity: 0.5268
Similarity to MM43096
| Tanimoto metric | 0.5268 |
|---|---|
| Cosine metric | 0.6958 |
| Dice metric | 0.6901 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312968
Similarity: 0.4194
Similarity to MM312968
| Tanimoto metric | 0.4194 |
|---|---|
| Cosine metric | 0.5937 |
| Dice metric | 0.5909 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
