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DocumentationIdentifier: MM100887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100887 |
| SMILES |
CCOC=CC=O
|
| InChIKey |
SYIPIVAOEFWMBA-UHFFFAOYSA-N
|
| MW [Da] |
100.12
Automatically obtained from RDkit software. |
| LogP |
0.74
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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| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.9 |
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|---|---|---|---|---|---|
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Total active interactions
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MM126098
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| Tanimoto metric | 0.7872 |
|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+417 more
