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DocumentationIdentifier: MM280380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280380 |
| SMILES |
O=CCC(=O)OC=CCO
|
| InChIKey |
XKZPQCLMRPPFHD-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.38
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 | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
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| AI: | 0
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Total passive interactions
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| LogP: | 1.47 |
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Total passive interactions
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| LogP: | 0.26 |
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