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DocumentationIdentifier: MM273849
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273849 |
| SMILES |
C=CC=C(C#N)NC(C)=O
|
| InChIKey |
NHEJHWWSEWFVFT-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
MM273850
Similarity: 0.7078
Similarity to MM273850
| Tanimoto metric | 0.7078 |
|---|---|
| Cosine metric | 0.8289 |
| Dice metric | 0.8289 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334446
Similarity: 0.7044
Similarity to MM334446
| Tanimoto metric | 0.7044 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8266 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179254
Similarity: 0.697
Similarity to MM179254
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
