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DocumentationIdentifier: MM166681
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166681 |
| SMILES |
CNC(=O)COCC=O
|
| InChIKey |
BMIDJNZSIZWSCP-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM258361
Similarity: 0.9211
Similarity to MM258361
| Tanimoto metric | 0.9211 |
|---|---|
| Cosine metric | 0.9597 |
| Dice metric | 0.9589 |
| MW: | 146.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36327
Similarity: 0.8857
Similarity to MM36327
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364660
Similarity: 0.8684
Similarity to MM364660
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9296 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
