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DocumentationIdentifier: MM301835
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301835 |
| SMILES |
CCOC(=O)C(C)C(=O)O
|
| InChIKey |
REGOCDRDNZNRMC-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM408779
Similarity: 0.8468
Similarity to MM408779
| Tanimoto metric | 0.8468 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.917 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308311
Similarity: 0.7845
Similarity to MM308311
| Tanimoto metric | 0.7845 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8792 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50245
Similarity: 0.7241
Similarity to MM50245
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
