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DocumentationIdentifier: MM259978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM259978 |
| SMILES |
C=CC(O)C=CNC(C)=O
|
| InChIKey |
MOQWUOIDRLWQMC-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40667
Similarity: 0.8529
Similarity to MM40667
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259096
Similarity: 0.719
Similarity to MM259096
| Tanimoto metric | 0.719 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8365 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64296
Similarity: 0.7131
Similarity to MM64296
| Tanimoto metric | 0.7131 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8325 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
