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DocumentationIdentifier: MM273848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273848 |
| SMILES |
C=CC(=CC#N)NC(C)=O
|
| InChIKey |
ZFRRGVYEKQQMHF-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150536
Similarity: 0.7669
Similarity to MM150536
| Tanimoto metric | 0.7669 |
|---|---|
| Cosine metric | 0.8757 |
| Dice metric | 0.8681 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51985
Similarity: 0.6992
Similarity to MM51985
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.823 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273847
Similarity: 0.6645
Similarity to MM273847
| Tanimoto metric | 0.6645 |
|---|---|
| Cosine metric | 0.7988 |
| Dice metric | 0.7984 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
