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DocumentationIdentifier: MM255651
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255651 |
| SMILES |
C=C(C)C(=O)C=CC(C)=O
|
| InChIKey |
JDVNDSDFPMNGKQ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163443
Similarity: 0.8182
Similarity to MM163443
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293332
Similarity: 0.8155
Similarity to MM293332
| Tanimoto metric | 0.8155 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.8984 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293382
Similarity: 0.8155
Similarity to MM293382
| Tanimoto metric | 0.8155 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.8984 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
