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DocumentationIdentifier: MM43041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43041 |
| SMILES |
C#CC(=O)OC(C)C#N
|
| InChIKey |
ACAAGUKVEVTHDL-UHFFFAOYSA-N
|
| MW [Da] |
123.11
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15659
Similarity: 0.901
Similarity to MM15659
| Tanimoto metric | 0.901 |
|---|---|
| Cosine metric | 0.9492 |
| Dice metric | 0.9479 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264811
Similarity: 0.8198
Similarity to MM264811
| Tanimoto metric | 0.8198 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.901 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330784
Similarity: 0.7583
Similarity to MM330784
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8626 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
