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DocumentationIdentifier: MM420622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420622 |
| SMILES |
CCN(C=N)C(C)=CC=O
|
| InChIKey |
VERVNMXDGRUIGM-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197629
Similarity: 0.768
Similarity to MM197629
| Tanimoto metric | 0.768 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8688 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95295
Similarity: 0.752
Similarity to MM95295
| Tanimoto metric | 0.752 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8584 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78892
Similarity: 0.6513
Similarity to MM78892
| Tanimoto metric | 0.6513 |
|---|---|
| Cosine metric | 0.7889 |
| Dice metric | 0.7888 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
