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DocumentationIdentifier: MM261015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261015 |
| SMILES |
COC(C)=CC=CC(C)=O
|
| InChIKey |
WQHDPSNOYSDAMI-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171441
Similarity: 0.6939
Similarity to MM171441
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.833 |
| Dice metric | 0.8193 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154413
Similarity: 0.6837
Similarity to MM154413
| Tanimoto metric | 0.6837 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8121 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371412
Similarity: 0.6606
Similarity to MM371412
| Tanimoto metric | 0.6606 |
|---|---|
| Cosine metric | 0.7983 |
| Dice metric | 0.7956 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+416 more
