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DocumentationIdentifier: MM68285
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68285 |
| SMILES |
C#CC(=CC(=O)O)C(N)=O
|
| InChIKey |
QFNQBLAZLRHNMY-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM394031
Similarity: 0.7006
Similarity to MM394031
| Tanimoto metric | 0.7006 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.824 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86999
Similarity: 0.601
Similarity to MM86999
| Tanimoto metric | 0.601 |
|---|---|
| Cosine metric | 0.7508 |
| Dice metric | 0.7508 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381544
Similarity: 0.5584
Similarity to MM381544
| Tanimoto metric | 0.5584 |
|---|---|
| Cosine metric | 0.7168 |
| Dice metric | 0.7166 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
