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Documentation2-Fluoro-3-oxobutanal
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02087 |
| SMILES |
CC(=O)C(F)C=O
|
| InChIKey |
QNOFTPXCBZCDSX-UHFFFAOYSA-N
|
| MW [Da] |
104.08
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
12039955
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24289
Similarity: 0.7391
Similarity to MM24289
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 90.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98490
Similarity: 0.7037
Similarity to MM98490
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8261 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02085
Similarity: 0.697
Similarity to MM02085
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
