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DocumentationIdentifier: MM166459
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166459 |
| SMILES |
COCCNC(=O)CO
|
| InChIKey |
VJENWUYDMPFSIX-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156155
Similarity: 0.8462
Similarity to MM156155
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9167 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113061
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| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM33905
Similarity: 0.7179
Similarity to MM33905
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8358 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+484 more
