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DocumentationIdentifier: MM243747
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243747 |
| SMILES |
CC(C#N)(NC=O)C(F)F
|
| InChIKey |
YNLPXAMIMUAMEJ-UHFFFAOYSA-N
|
| MW [Da] |
148.11
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
MM52188
Similarity: 0.7188
Similarity to MM52188
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312633
Similarity: 0.6621
Similarity to MM312633
| Tanimoto metric | 0.6621 |
|---|---|
| Cosine metric | 0.7982 |
| Dice metric | 0.7967 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312880
Similarity: 0.6507
Similarity to MM312880
| Tanimoto metric | 0.6507 |
|---|---|
| Cosine metric | 0.7899 |
| Dice metric | 0.7884 |
| MW: | 141.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+38 more
