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Documentation2-fluoro-3-oxobutanenitrile
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02199 |
| SMILES |
CC(=O)C(F)C#N
|
| InChIKey |
KGNDXBMHOHZLKW-UHFFFAOYSA-N
|
| MW [Da] |
101.08
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
118554431
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111915
Similarity: 0.7467
Similarity to MM111915
| Tanimoto metric | 0.7467 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.855 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111917
Similarity: 0.7368
Similarity to MM111917
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 119.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15694
Similarity: 0.6588
Similarity to MM15694
| Tanimoto metric | 0.6588 |
|---|---|
| Cosine metric | 0.8117 |
| Dice metric | 0.7943 |
| MW: | 111.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
