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DocumentationIdentifier: MM78892
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78892 |
| SMILES |
C=CN(C=N)C(C)=CC=O
|
| InChIKey |
HRWUCEBJCAHYHE-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
MM197657
Similarity: 0.7698
Similarity to MM197657
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95295
Similarity: 0.746
Similarity to MM95295
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM420622
Similarity: 0.6513
Similarity to MM420622
| Tanimoto metric | 0.6513 |
|---|---|
| Cosine metric | 0.7889 |
| Dice metric | 0.7888 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
