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DocumentationIdentifier: MM160355
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160355 |
| SMILES |
CCC(=O)C(O)C(C)O
|
| InChIKey |
CTVROEFFDORDNM-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM297198
Similarity: 0.8347
Similarity to MM297198
| Tanimoto metric | 0.8347 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253968
Similarity: 0.7652
Similarity to MM253968
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8747 |
| Dice metric | 0.867 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297291
Similarity: 0.7372
Similarity to MM297291
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8487 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
