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DocumentationIdentifier: MM169535
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169535 |
| SMILES |
CCC(O)C=COC=O
|
| InChIKey |
HSQMKXPUPDQEAT-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281467
Similarity: 0.8333
Similarity to MM281467
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM114003
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| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8722 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM281629
Similarity: 0.7732
Similarity to MM281629
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8721 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+660 more
