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DocumentationIdentifier: MM293404
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293404 |
| SMILES |
C=C(C)C(=O)C=CNC=O
|
| InChIKey |
FOFUSHWOXGOHOP-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
MM163425
Similarity: 0.8349
Similarity to MM163425
| Tanimoto metric | 0.8349 |
|---|---|
| Cosine metric | 0.9137 |
| Dice metric | 0.91 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293354
Similarity: 0.75
Similarity to MM293354
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8571 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25967
Similarity: 0.728
Similarity to MM25967
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8426 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
