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DocumentationIdentifier: MM161057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161057 |
| SMILES |
C=CC(O)C(=C)C(C)=O
|
| InChIKey |
RNOCUVOEHNXZES-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM352403
Similarity: 0.8138
Similarity to MM352403
| Tanimoto metric | 0.8138 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390605
Similarity: 0.6982
Similarity to MM390605
| Tanimoto metric | 0.6982 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8223 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35686
Similarity: 0.6441
Similarity to MM35686
| Tanimoto metric | 0.6441 |
|---|---|
| Cosine metric | 0.8025 |
| Dice metric | 0.7835 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+143 more
