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DocumentationIdentifier: MM246483
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246483 |
| SMILES |
C=CC(=O)CC(=O)C(C)O
|
| InChIKey |
KJKZHZAUSQAYHE-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.08
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: 0.7154
Similarity to MM133880
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8341 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246252
Similarity: 0.6667
Similarity to MM246252
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.8 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246253
Similarity: 0.6617
Similarity to MM246253
| Tanimoto metric | 0.6617 |
|---|---|
| Cosine metric | 0.8015 |
| Dice metric | 0.7964 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
