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DocumentationIdentifier: MM83564
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83564 |
| SMILES |
C=CN(C=N)C=CC(C)=O
|
| InChIKey |
RVWULBOPAUVIJZ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84519
Similarity: 0.69
Similarity to MM84519
| Tanimoto metric | 0.69 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8166 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322114
Similarity: 0.681
Similarity to MM322114
| Tanimoto metric | 0.681 |
|---|---|
| Cosine metric | 0.8105 |
| Dice metric | 0.8103 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321901
Similarity: 0.6371
Similarity to MM321901
| Tanimoto metric | 0.6371 |
|---|---|
| Cosine metric | 0.7784 |
| Dice metric | 0.7783 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
