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DocumentationIdentifier: MM229842
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229842 |
| SMILES |
CC(F)(F)C(C)(C#N)C=O
|
| InChIKey |
SPEHQWFGIPYGIA-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131399
Similarity: 0.7372
Similarity to MM131399
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8487 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313616
Similarity: 0.6369
Similarity to MM313616
| Tanimoto metric | 0.6369 |
|---|---|
| Cosine metric | 0.7799 |
| Dice metric | 0.7782 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131028
Similarity: 0.635
Similarity to MM131028
| Tanimoto metric | 0.635 |
|---|---|
| Cosine metric | 0.7969 |
| Dice metric | 0.7768 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
