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Documentation2-acetylbut-3-enal
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02365 |
| SMILES |
C=CC(C=O)C(C)=O
|
| InChIKey |
HBCWXOIFRNTFTD-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
21881681
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197460
Similarity: 0.7093
Similarity to MM197460
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27064
Similarity: 0.7049
Similarity to MM27064
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8269 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM140095
Similarity: 0.7011
Similarity to MM140095
| Tanimoto metric | 0.7011 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8243 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
