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DocumentationIdentifier: MM265266
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265266 |
| SMILES |
CC=CC(=O)CC(C)=CC
|
| InChIKey |
KCUREPXFXQPVJH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143170
Similarity: 0.87
Similarity to MM143170
| Tanimoto metric | 0.87 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9305 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135854
Similarity: 0.82
Similarity to MM135854
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266131
Similarity: 0.7876
Similarity to MM266131
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8812 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
