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DocumentationIdentifier: MM349245
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349245 |
| SMILES |
C=CC(=O)C(C)C(O)CC
|
| InChIKey |
LBJBPECPKDTUIY-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM389144
Similarity: 0.7215
Similarity to MM389144
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8382 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160099
Similarity: 0.6761
Similarity to MM160099
| Tanimoto metric | 0.6761 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8067 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376509
Similarity: 0.6667
Similarity to MM376509
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.8 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+167 more
