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DocumentationIdentifier: MM98136
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98136 |
| SMILES |
C=CC(=O)OCC
|
| InChIKey |
JIGUQPWFLRLWPJ-UHFFFAOYSA-N
|
| MW [Da] |
100.12
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
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| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.35 |
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| AI: | 0
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| Cosine metric | 0.8733 |
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| MW: | 114.1 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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