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DocumentationIdentifier: MM67491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67491 |
| SMILES |
CC(=O)NC(C#N)=CC=O
|
| InChIKey |
RMLVXLQIDDHPJH-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179255
Similarity: 0.7164
Similarity to MM179255
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273850
Similarity: 0.6987
Similarity to MM273850
| Tanimoto metric | 0.6987 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8226 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67519
Similarity: 0.6894
Similarity to MM67519
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8163 |
| Dice metric | 0.8162 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+132 more
