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DocumentationProp-2-ynyl 3-oxobutanoate
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02397 |
| SMILES |
C#CCOC(=O)CC(C)=O
|
| InChIKey |
ONTHIOPVTJEYLT-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
10103249
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
Ethyl 3-oxobutanoate
Similarity: 0.8
Similarity to Ethyl 3-oxobutanoate
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156362
Similarity: 0.7273
Similarity to MM156362
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15976
Similarity: 0.7091
Similarity to MM15976
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8298 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
