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DocumentationIdentifier: MM229409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229409 |
| SMILES |
CC(=O)NC(C)(C#N)CF
|
| InChIKey |
YGQMSHYSGSZLTJ-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57957
Similarity: 0.6533
Similarity to MM57957
| Tanimoto metric | 0.6533 |
|---|---|
| Cosine metric | 0.7929 |
| Dice metric | 0.7903 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40109
Similarity: 0.6493
Similarity to MM40109
| Tanimoto metric | 0.6493 |
|---|---|
| Cosine metric | 0.8058 |
| Dice metric | 0.7873 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312880
Similarity: 0.6358
Similarity to MM312880
| Tanimoto metric | 0.6358 |
|---|---|
| Cosine metric | 0.7802 |
| Dice metric | 0.7773 |
| MW: | 141.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
