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DocumentationIdentifier: MM418857
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418857 |
| SMILES |
CC=C(CO)OC=CCC
|
| InChIKey |
SQRNEMFYNZZNFP-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.82
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 | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
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| AI: | 0
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| PI: | 2
Total passive interactions
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| LogP: | 1.6 |
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+544 more
