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DocumentationIdentifier: MM382055
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382055 |
| SMILES |
C=CC(=C)C(=CC)CC=O
|
| InChIKey |
UUVPQMVSLKZRBU-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180431
Similarity: 0.7544
Similarity to MM180431
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306358
Similarity: 0.7077
Similarity to MM306358
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8288 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295093
Similarity: 0.6797
Similarity to MM295093
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.8093 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
