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DocumentationIdentifier: MM02830
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02830 |
| SMILES |
CC(C#N)C(=O)CF
|
| InChIKey |
BEZYHRIJTBHFTB-UHFFFAOYSA-N
|
| MW [Da] |
115.11
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15581
Similarity: 0.8537
Similarity to MM15581
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9239 |
| Dice metric | 0.9211 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4-fluoro-3-oxobutanenitrile
Similarity: 0.6571
Similarity to 4-fluoro-3-oxobutanenitrile
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.7931 |
| MW: | 101.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02172
Similarity: 0.6422
Similarity to MM02172
| Tanimoto metric | 0.6422 |
|---|---|
| Cosine metric | 0.8014 |
| Dice metric | 0.7821 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
