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DocumentationIdentifier: MM349556
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349556 |
| SMILES |
COC(=O)C(O)C(O)C=O
|
| InChIKey |
RETUDAQPDXIFOG-UHFFFAOYSA-N
|
| MW [Da] |
148.11
Automatically obtained from RDkit software. |
| LogP |
-1.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160405
Similarity: 0.844
Similarity to MM160405
| Tanimoto metric | 0.844 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9154 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349032
Similarity: 0.8025
Similarity to MM349032
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8905 |
| Dice metric | 0.8905 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50122
Similarity: 0.7021
Similarity to MM50122
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
