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DocumentationIdentifier: MM61736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61736 |
| SMILES |
CCOC(C)(C=O)C(C)O
|
| InChIKey |
ANMYKJUQPLJOSQ-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139906
Similarity: 0.8182
Similarity to MM139906
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179716
Similarity: 0.6573
Similarity to MM179716
| Tanimoto metric | 0.6573 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.7932 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319922
Similarity: 0.6324
Similarity to MM319922
| Tanimoto metric | 0.6324 |
|---|---|
| Cosine metric | 0.7759 |
| Dice metric | 0.7748 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
