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DocumentationIdentifier: MM144920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144920 |
| SMILES |
CNC(=O)COC(C)=O
|
| InChIKey |
NWKGXAKYDIJMTQ-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM255087
Similarity: 0.8288
Similarity to MM255087
| Tanimoto metric | 0.8288 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9064 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319065
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Similarity to MM319065
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM319063
Similarity: 0.7863
Similarity to MM319063
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8804 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
