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DocumentationIdentifier: MM42238
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42238 |
| SMILES |
CCOC(C)(C=O)CO
|
| InChIKey |
NUTNQJXNQSZPMZ-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308844
Similarity: 0.8878
Similarity to MM308844
| Tanimoto metric | 0.8878 |
|---|---|
| Cosine metric | 0.9422 |
| Dice metric | 0.9405 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308590
Similarity: 0.8788
Similarity to MM308590
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312579
Similarity: 0.8365
Similarity to MM312579
| Tanimoto metric | 0.8365 |
|---|---|
| Cosine metric | 0.9146 |
| Dice metric | 0.911 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
