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DocumentationIdentifier: MM350491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350491 |
| SMILES |
C=CC(=O)C(C)C(=O)CO
|
| InChIKey |
WDRPBFVKQHMQLG-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378252
Similarity: 0.7413
Similarity to MM378252
| Tanimoto metric | 0.7413 |
|---|---|
| Cosine metric | 0.853 |
| Dice metric | 0.8514 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350034
Similarity: 0.6377
Similarity to MM350034
| Tanimoto metric | 0.6377 |
|---|---|
| Cosine metric | 0.79 |
| Dice metric | 0.7788 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350855
Similarity: 0.6232
Similarity to MM350855
| Tanimoto metric | 0.6232 |
|---|---|
| Cosine metric | 0.7804 |
| Dice metric | 0.7679 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
