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DocumentationIdentifier: MM286530
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM286530 |
| SMILES |
CCOC(C)(C)C(=O)O
|
| InChIKey |
ZCGZOPIPEZCKKQ-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM269472
Similarity: 0.9065
Similarity to MM269472
| Tanimoto metric | 0.9065 |
|---|---|
| Cosine metric | 0.9521 |
| Dice metric | 0.951 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16429
Similarity: 0.8899
Similarity to MM16429
| Tanimoto metric | 0.8899 |
|---|---|
| Cosine metric | 0.9433 |
| Dice metric | 0.9417 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59329
Similarity: 0.8739
Similarity to MM59329
| Tanimoto metric | 0.8739 |
|---|---|
| Cosine metric | 0.9348 |
| Dice metric | 0.9327 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
