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DocumentationIdentifier: MM339206
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339206 |
| SMILES |
C=CC(=O)C=C(C=O)C=O
|
| InChIKey |
AQTQWESDVFSLQQ-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143833
Similarity: 0.8795
Similarity to MM143833
| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9378 |
| Dice metric | 0.9359 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266996
Similarity: 0.8022
Similarity to MM266996
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8902 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44888
Similarity: 0.7831
Similarity to MM44888
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
