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DocumentationIdentifier: MM229850
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229850 |
| SMILES |
CC(F)(F)C(F)(C#N)C=O
|
| InChIKey |
NLLUGKNRHFHFGK-UHFFFAOYSA-N
|
| MW [Da] |
151.09
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM320244
Similarity: 0.6533
Similarity to MM320244
| Tanimoto metric | 0.6533 |
|---|---|
| Cosine metric | 0.7911 |
| Dice metric | 0.7903 |
| MW: | 144.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139945
Similarity: 0.6395
Similarity to MM139945
| Tanimoto metric | 0.6395 |
|---|---|
| Cosine metric | 0.7997 |
| Dice metric | 0.7801 |
| MW: | 137.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131399
Similarity: 0.5872
Similarity to MM131399
| Tanimoto metric | 0.5872 |
|---|---|
| Cosine metric | 0.7663 |
| Dice metric | 0.7399 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
