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DocumentationIdentifier: MM334468
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334468 |
| SMILES |
C=CC(=CC)OC(=C)C=O
|
| InChIKey |
PPCZPVAJHCHUSQ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM143198
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| Tanimoto metric | 0.719 |
|---|---|
| Cosine metric | 0.8479 |
| Dice metric | 0.8365 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM150555
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| Tanimoto metric | 0.7107 |
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| Cosine metric | 0.8431 |
| Dice metric | 0.8309 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142836
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Similarity to MM142836
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8282 |
| Dice metric | 0.8137 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
