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DocumentationIdentifier: MM84753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84753 |
| SMILES |
C=CC(=C)C(O)COC=O
|
| InChIKey |
WSUYFKLYMSXLMF-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162291
Similarity: 0.7724
Similarity to MM162291
| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8716 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349654
Similarity: 0.7
Similarity to MM349654
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.8235 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349782
Similarity: 0.6901
Similarity to MM349782
| Tanimoto metric | 0.6901 |
|---|---|
| Cosine metric | 0.8169 |
| Dice metric | 0.8167 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
