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DocumentationIdentifier: MM352359
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352359 |
| SMILES |
C=CC(=C)C(=O)CCC=O
|
| InChIKey |
MEGSHGDBIGKCKP-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
MM173804
Similarity: 0.8235
Similarity to MM173804
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162690
Similarity: 0.7549
Similarity to MM162690
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8603 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM63572
Similarity: 0.7168
Similarity to MM63572
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8351 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
