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DocumentationIdentifier: MM113448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113448 |
| SMILES |
C#CC(=O)OCC=O
|
| InChIKey |
CELFWUVARNIKGY-UHFFFAOYSA-N
|
| MW [Da] |
112.08
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 98.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157575
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| Tanimoto metric | 0.7662 |
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| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM43953
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Similarity to MM43953
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8369 |
| MW: | 128.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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