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DocumentationIdentifier: MM63166
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63166 |
| SMILES |
C=CNC(=O)C=CC(C)=O
|
| InChIKey |
QHSKFIQPQOLOIR-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281887
Similarity: 0.7043
Similarity to MM281887
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8265 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281953
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Similarity to MM281953
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8223 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322272
Similarity: 0.6466
Similarity to MM322272
| Tanimoto metric | 0.6466 |
|---|---|
| Cosine metric | 0.7861 |
| Dice metric | 0.7854 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
