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DocumentationIdentifier: MM365265
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365265 |
| SMILES |
O=CCC(O)C(=O)O
|
| InChIKey |
XJFSDAQUZXSRMY-UHFFFAOYSA-N
|
| MW [Da] |
118.09
Automatically obtained from RDkit software. |
| LogP |
-0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
Malic Acid
Similarity: 0.7586
Similarity to Malic Acid
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 7
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316607
Similarity: 0.7273
Similarity to MM316607
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8421 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM399883
Similarity: 0.7021
Similarity to MM399883
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+114 more
