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DocumentationIdentifier: MM339970
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339970 |
| SMILES |
CC(C)OCC(C=O)CO
|
| InChIKey |
ZABYYGYKDKRPIW-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144140
Similarity: 0.7763
Similarity to MM144140
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402985
Similarity: 0.759
Similarity to MM402985
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.863 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402987
Similarity: 0.7412
Similarity to MM402987
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8514 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+456 more
