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DocumentationIdentifier: MM42186
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42186 |
| SMILES |
C=COC(C)(CO)CO
|
| InChIKey |
CCAOOTFUQRNKQE-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.11
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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MM77492
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| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 116.16 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.92 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8513 |
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Total passive interactions
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| LogP: | -0.62 |
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| AI: | 0
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+438 more
