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DocumentationIdentifier: MM168354
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168354 |
| SMILES |
C=CC(C)OC=CC=O
|
| InChIKey |
AAZGOCFDMYEIGZ-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM407207
Similarity: 0.8919
Similarity to MM407207
| Tanimoto metric | 0.8919 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9429 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280640
Similarity: 0.825
Similarity to MM280640
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240579
Similarity: 0.7857
Similarity to MM240579
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+659 more
