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DocumentationIdentifier: MM396716
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396716 |
| SMILES |
O=C(O)C(O)C(O)C(=O)O
|
| InChIKey |
FEWJPZIEWOKRBE-UHFFFAOYSA-N
|
| MW [Da] |
150.09
Automatically obtained from RDkit software. |
| LogP |
-2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379341
Similarity: 0.8879
Similarity to MM379341
| Tanimoto metric | 0.8879 |
|---|---|
| Cosine metric | 0.9423 |
| Dice metric | 0.9406 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM399883
Similarity: 0.8785
Similarity to MM399883
| Tanimoto metric | 0.8785 |
|---|---|
| Cosine metric | 0.9373 |
| Dice metric | 0.9353 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Malic Acid
Similarity: 0.8131
Similarity to Malic Acid
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 7
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
