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DocumentationIdentifier: MM67512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67512 |
| SMILES |
CC(=O)OC(C#N)=CC#N
|
| InChIKey |
HZCNUCAKAAEVLL-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150563
Similarity: 0.8281
Similarity to MM150563
| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.906 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52007
Similarity: 0.6953
Similarity to MM52007
| Tanimoto metric | 0.6953 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8203 |
| MW: | 122.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67471
Similarity: 0.6948
Similarity to MM67471
| Tanimoto metric | 0.6948 |
|---|---|
| Cosine metric | 0.8201 |
| Dice metric | 0.8199 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
