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DocumentationIdentifier: MM02441
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02441 |
| SMILES |
CC(=O)CC(C)=COC=O
|
| InChIKey |
ONPSZKMGGRRVJA-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136040
Similarity: 0.8447
Similarity to MM136040
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385777
Similarity: 0.6754
Similarity to MM385777
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.8063 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159510
Similarity: 0.6602
Similarity to MM159510
| Tanimoto metric | 0.6602 |
|---|---|
| Cosine metric | 0.8125 |
| Dice metric | 0.7953 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
