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DocumentationIdentifier: MM251632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251632 |
| SMILES |
CC(CC=CC=O)C(=O)O
|
| InChIKey |
BROKXUAOGGIKGE-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162849
Similarity: 0.8842
Similarity to MM162849
| Tanimoto metric | 0.8842 |
|---|---|
| Cosine metric | 0.9403 |
| Dice metric | 0.9385 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304276
Similarity: 0.785
Similarity to MM304276
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.8796 |
| Dice metric | 0.8796 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255911
Similarity: 0.7706
Similarity to MM255911
| Tanimoto metric | 0.7706 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8705 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
