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DocumentationIdentifier: MM246253
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246253 |
| SMILES |
CC(O)C(=O)CC(=O)CO
|
| InChIKey |
RDTHQYGKRQXOKL-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
MM133880
Similarity: 0.898
Similarity to MM133880
| Tanimoto metric | 0.898 |
|---|---|
| Cosine metric | 0.9476 |
| Dice metric | 0.9462 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246252
Similarity: 0.8932
Similarity to MM246252
| Tanimoto metric | 0.8932 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.9436 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269278
Similarity: 0.744
Similarity to MM269278
| Tanimoto metric | 0.744 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8532 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
