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DocumentationIdentifier: MM244907
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244907 |
| SMILES |
C=C(CO)CC(O)C(C)C
|
| InChIKey |
ZFQQZHPYOJOHIN-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
0.94
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 | 0.7573 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8619 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8435 |
| Dice metric | 0.8426 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.09 |
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Total active interactions
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| Tanimoto metric | 0.7069 |
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| Cosine metric | 0.829 |
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| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.36 |
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