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DocumentationIdentifier: MM253906
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253906 |
| SMILES |
CC(=O)C(O)C(O)C(C)=O
|
| InChIKey |
RQDWELNLPMBYMA-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133714
Similarity: 0.7736
Similarity to MM133714
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8723 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296836
Similarity: 0.7419
Similarity to MM296836
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8519 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297016
Similarity: 0.6715
Similarity to MM297016
| Tanimoto metric | 0.6715 |
|---|---|
| Cosine metric | 0.8057 |
| Dice metric | 0.8035 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+114 more
