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DocumentationIdentifier: MM33072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33072 |
| SMILES |
C=C(CC(C)=O)OC
|
| InChIKey |
ZKTWFURGUOIHIF-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
1.13
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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MM135500
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| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.64 |
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MM142557
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| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8785 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+278 more
