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DocumentationIdentifier: MM252370
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252370 |
| SMILES |
C=CNC(=O)C=CC(N)=O
|
| InChIKey |
DYWVNHVXEFSOQB-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281894
Similarity: 0.8889
Similarity to MM281894
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9418 |
| Dice metric | 0.9412 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289531
Similarity: 0.7727
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| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM62668
Similarity: 0.76
Similarity to MM62668
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8636 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
