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DocumentationIdentifier: MM408779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408779 |
| SMILES |
CCOC(=O)C(C=O)CO
|
| InChIKey |
QAAGSPOFKHIYOC-UHFFFAOYSA-N
|
| MW [Da] |
146.14
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 |
Similar entries
MM301835
Similarity: 0.8468
Similarity to MM301835
| Tanimoto metric | 0.8468 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.917 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197310
Similarity: 0.7876
Similarity to MM197310
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8875 |
| Dice metric | 0.8812 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50245
Similarity: 0.7434
Similarity to MM50245
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8528 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
