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DocumentationIdentifier: MM254043
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254043 |
| SMILES |
CC(=O)C(C)C(=O)C(C)O
|
| InChIKey |
BKQGZASYNUWFEK-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82432
Similarity: 0.774
Similarity to MM82432
| Tanimoto metric | 0.774 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8726 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298359
Similarity: 0.6257
Similarity to MM298359
| Tanimoto metric | 0.6257 |
|---|---|
| Cosine metric | 0.7699 |
| Dice metric | 0.7698 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133880
Similarity: 0.6241
Similarity to MM133880
| Tanimoto metric | 0.6241 |
|---|---|
| Cosine metric | 0.79 |
| Dice metric | 0.7686 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
