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Documentation2-fluoro-4-methoxybutanal
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02687 |
| SMILES |
COCCC(F)C=O
|
| InChIKey |
ZKRYWSACVKKMSJ-UHFFFAOYSA-N
|
| MW [Da] |
120.12
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
55266746
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165953
Similarity: 0.8472
Similarity to MM165953
| Tanimoto metric | 0.8472 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9173 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166100
Similarity: 0.8133
Similarity to MM166100
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166098
Similarity: 0.7922
Similarity to MM166098
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
