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DocumentationMalic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00666 |
| SMILES |
O=C(O)CC(O)C(=O)O
|
| InChIKey |
BJEPYKJPYRNKOW-UHFFFAOYSA-N
|
| MW [Da] |
134.09
Automatically obtained from RDkit software. |
| LogP |
-1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
525
|
|
DrugBank |
DB12751
|
|
ChEBI |
6650
|
|
PDB |
N/A |
|
ChEMBL |
CHEMBL1455497
|
Similar entries
MM396716
Similarity: 0.8131
Similarity to MM396716
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 150.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316607
Similarity: 0.7701
Similarity to MM316607
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8701 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365265
Similarity: 0.7586
Similarity to MM365265
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 118.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
