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DocumentationIdentifier: MM224906
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224906 |
| SMILES |
COC(=O)COC(C)(C)C
|
| InChIKey |
HEWVGINPCZDHJF-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.97
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 | 0.8608 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7975 |
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| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.89 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8242 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
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| AI: | 0
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+194 more
