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DocumentationIdentifier: MM15609
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15609 |
| SMILES |
N#CC(F)C=O
|
| InChIKey |
BBDGCMVJMVSECX-UHFFFAOYSA-N
|
| MW [Da] |
87.05
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25763
Similarity: 0.68
Similarity to MM25763
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8095 |
| MW: | 101.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25767
Similarity: 0.68
Similarity to MM25767
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8095 |
| MW: | 105.04 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-fluoro-3-oxobutanenitrile
Similarity: 0.6071
Similarity to 2-fluoro-3-oxobutanenitrile
| Tanimoto metric | 0.6071 |
|---|---|
| Cosine metric | 0.7792 |
| Dice metric | 0.7556 |
| MW: | 101.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
