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DocumentationIdentifier: MM105025
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM105025 |
| SMILES |
C=CC(C)=CC(C)=O
|
| InChIKey |
NCSJOYOCUVCODH-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM151083
Similarity: 0.8529
Similarity to MM151083
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143832
Similarity: 0.8056
Similarity to MM143832
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136556
Similarity: 0.7838
Similarity to MM136556
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+602 more
