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DocumentationIdentifier: MM229843
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229843 |
| SMILES |
CC(C#N)(C=O)C(F)(F)F
|
| InChIKey |
KQFQXJGTOOUXGO-UHFFFAOYSA-N
|
| MW [Da] |
151.09
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139936
Similarity: 0.83
Similarity to MM139936
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131401
Similarity: 0.77
Similarity to MM131401
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8701 |
| MW: | 137.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131030
Similarity: 0.63
Similarity to MM131030
| Tanimoto metric | 0.63 |
|---|---|
| Cosine metric | 0.7937 |
| Dice metric | 0.773 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
