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Documentation2-fluorobut-3-ynal
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02229 |
| SMILES |
C#CC(F)C=O
|
| InChIKey |
SMANBXAERDIBKO-UHFFFAOYSA-N
|
| MW [Da] |
86.07
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
129862012
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM01624
Similarity: 0.7391
Similarity to MM01624
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 100.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25779
Similarity: 0.6939
Similarity to MM25779
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.833 |
| Dice metric | 0.8193 |
| MW: | 104.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25777
Similarity: 0.68
Similarity to MM25777
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8095 |
| MW: | 100.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
