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DocumentationIdentifier: MM339128
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339128 |
| SMILES |
CCC(=O)C=C(C=O)C=O
|
| InChIKey |
YEPCPXKWPJJRMY-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143727
Similarity: 0.8837
Similarity to MM143727
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44888
Similarity: 0.7558
Similarity to MM44888
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266812
Similarity: 0.7525
Similarity to MM266812
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8588 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+80 more
