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DocumentationIdentifier: MM329006
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329006 |
| SMILES |
C=CC(=O)OC(CC)CC
|
| InChIKey |
QONHNMFEHWGACQ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.9
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 | 0.9082 |
|---|---|
| Cosine metric | 0.953 |
| Dice metric | 0.9519 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.9 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.76 |
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+333 more
