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DocumentationIdentifier: MM273850
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273850 |
| SMILES |
CC(=O)NC(C#N)=CC#N
|
| InChIKey |
ASBDEDSXRYUERJ-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM273849
Similarity: 0.7078
Similarity to MM273849
| Tanimoto metric | 0.7078 |
|---|---|
| Cosine metric | 0.8289 |
| Dice metric | 0.8289 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67491
Similarity: 0.6987
Similarity to MM67491
| Tanimoto metric | 0.6987 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8226 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334446
Similarity: 0.6875
Similarity to MM334446
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8148 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
