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DocumentationIdentifier: MM348509
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348509 |
| SMILES |
CC(C=O)C(C)CN=CN
|
| InChIKey |
OMYBYPNHJNRCRI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM233930
Similarity: 0.6538
Similarity to MM233930
| Tanimoto metric | 0.6538 |
|---|---|
| Cosine metric | 0.7908 |
| Dice metric | 0.7907 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239719
Similarity: 0.6436
Similarity to MM239719
| Tanimoto metric | 0.6436 |
|---|---|
| Cosine metric | 0.784 |
| Dice metric | 0.7831 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236637
Similarity: 0.6306
Similarity to MM236637
| Tanimoto metric | 0.6306 |
|---|---|
| Cosine metric | 0.7741 |
| Dice metric | 0.7735 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
