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DocumentationIdentifier: MM238546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238546 |
| SMILES |
CCC=CC(C)=CC(C)=O
|
| InChIKey |
KCPRIBCNQSNYJI-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
MM136556
Similarity: 0.9024
Similarity to MM136556
| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238571
Similarity: 0.8636
Similarity to MM238571
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9268 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252565
Similarity: 0.8222
Similarity to MM252565
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.9024 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+637 more
