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Documentation3-fluoro-4-methoxy-3-methylbutanal
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02681 |
| SMILES |
COCC(C)(F)CC=O
|
| InChIKey |
LVYBWZYUSNZEDX-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
123886693
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103002
Similarity: 0.7368
Similarity to MM103002
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102974
Similarity: 0.6947
Similarity to MM102974
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8199 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33833
Similarity: 0.6737
Similarity to MM33833
| Tanimoto metric | 0.6737 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.805 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
