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DocumentationIdentifier: MM47427
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47427 |
| SMILES |
C=CC(=C)C(O)C(C)=O
|
| InChIKey |
AGTFLQHEKOZLPX-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
MM82577
Similarity: 0.7202
Similarity to MM82577
| Tanimoto metric | 0.7202 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8374 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299480
Similarity: 0.7202
Similarity to MM299480
| Tanimoto metric | 0.7202 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8374 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34925
Similarity: 0.7107
Similarity to MM34925
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.8309 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
