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DocumentationIdentifier: MM42937
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42937 |
| SMILES |
C#CC(=O)OC(C)CO
|
| InChIKey |
VIUCFNSYHSJCPB-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79946
Similarity: 0.899
Similarity to MM79946
| Tanimoto metric | 0.899 |
|---|---|
| Cosine metric | 0.9482 |
| Dice metric | 0.9468 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264786
Similarity: 0.8165
Similarity to MM264786
| Tanimoto metric | 0.8165 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.899 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80120
Similarity: 0.7607
Similarity to MM80120
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8641 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+341 more
