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DocumentationIdentifier: MM223919
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223919 |
| SMILES |
CC(F)(F)C(=O)C(O)C#N
|
| InChIKey |
CTMXTHCSOVETPS-UHFFFAOYSA-N
|
| MW [Da] |
149.1
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223884
Similarity: 0.6287
Similarity to MM223884
| Tanimoto metric | 0.6287 |
|---|---|
| Cosine metric | 0.7725 |
| Dice metric | 0.772 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82665
Similarity: 0.6207
Similarity to MM82665
| Tanimoto metric | 0.6207 |
|---|---|
| Cosine metric | 0.7664 |
| Dice metric | 0.766 |
| MW: | 142.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223886
Similarity: 0.6117
Similarity to MM223886
| Tanimoto metric | 0.6117 |
|---|---|
| Cosine metric | 0.7593 |
| Dice metric | 0.759 |
| MW: | 156.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
