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DocumentationIdentifier: MM262868
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262868 |
| SMILES |
C=CCC(=O)OC(C)C#N
|
| InChIKey |
NJUTVJPVICWJHZ-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135444
Similarity: 0.7248
Similarity to MM135444
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8404 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330332
Similarity: 0.7227
Similarity to MM330332
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.839 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262869
Similarity: 0.6772
Similarity to MM262869
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8077 |
| Dice metric | 0.8075 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
