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Documentation4-fluoro-3-oxobutanenitrile
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02204 |
| SMILES |
N#CCC(=O)CF
|
| InChIKey |
ZQKRBAXFUYOFLR-UHFFFAOYSA-N
|
| MW [Da] |
101.08
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
129452586
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108411
Similarity: 0.7419
Similarity to MM108411
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 119.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02197
Similarity: 0.6667
Similarity to MM02197
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02830
Similarity: 0.6571
Similarity to MM02830
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.7931 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
