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DocumentationIdentifier: MM258221
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258221 |
| SMILES |
CN(C)CCOC(=O)CO
|
| InChIKey |
FEZGDJARTFLGFZ-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166545
Similarity: 0.8736
Similarity to MM166545
| Tanimoto metric | 0.8736 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9325 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364860
Similarity: 0.7835
Similarity to MM364860
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8786 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54437
Similarity: 0.7701
Similarity to MM54437
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8701 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
