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DocumentationIdentifier: MM297224
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297224 |
| SMILES |
CC(=O)C(C)=C(C)C(N)=O
|
| InChIKey |
PXAHRJIQOUUINK-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM297260
Similarity: 0.7613
Similarity to MM297260
| Tanimoto metric | 0.7613 |
|---|---|
| Cosine metric | 0.8666 |
| Dice metric | 0.8645 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304611
Similarity: 0.7123
Similarity to MM304611
| Tanimoto metric | 0.7123 |
|---|---|
| Cosine metric | 0.844 |
| Dice metric | 0.832 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323048
Similarity: 0.6918
Similarity to MM323048
| Tanimoto metric | 0.6918 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8178 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
