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DocumentationIdentifier: MM275259
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275259 |
| SMILES |
CC(=O)C(C=O)OC(C)C
|
| InChIKey |
QEAOMRPEGRSPPO-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.57
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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MM133652
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| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8585 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|
| Cosine metric | 0.8433 |
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Total passive interactions
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| LogP: | -0.21 |
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+206 more
