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DocumentationIdentifier: MM417031
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417031 |
| SMILES |
C=COC(=C)C(=CC)CO
|
| InChIKey |
SPIUFQOMANQSRC-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.6
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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MM173756
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| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8624 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8707 |
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| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.63 |
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| Tanimoto metric | 0.6763 |
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| Cosine metric | 0.8085 |
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 3.02 |
||||
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