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DocumentationIdentifier: MM112879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112879 |
| SMILES |
CC(C#N)COC=O
|
| InChIKey |
VUWAHMGKYZKPFI-UHFFFAOYSA-N
|
| MW [Da] |
113.12
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138434
Similarity: 0.7941
Similarity to MM138434
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198963
Similarity: 0.7826
Similarity to MM198963
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144456
Similarity: 0.7105
Similarity to MM144456
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8308 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
