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DocumentationIdentifier: MM320244
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320244 |
| SMILES |
N#CC(F)C(F)(C#N)C=O
|
| InChIKey |
NOHNSTBFTDDUCD-UHFFFAOYSA-N
|
| MW [Da] |
144.08
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42379
Similarity: 0.6688
Similarity to MM42379
| Tanimoto metric | 0.6688 |
|---|---|
| Cosine metric | 0.8178 |
| Dice metric | 0.8015 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM01628
Similarity: 0.6687
Similarity to MM01628
| Tanimoto metric | 0.6687 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8015 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229850
Similarity: 0.6533
Similarity to MM229850
| Tanimoto metric | 0.6533 |
|---|---|
| Cosine metric | 0.7911 |
| Dice metric | 0.7903 |
| MW: | 151.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+13 more
