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SIAL-ZINC03074815

 MMsINC code: MMs03914876
Type: Neutral
Formula: C11H18O5
SMILES:   OC(=O)CCCC(=O)CCCCCC(O)=O
InChI:   InChI=1/C11H18O5/c12-9(6-4-8-11(15)16)5-2-1-3-7-10(13)14/h1-8H2,(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=-1.19888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.26 g/mol  logS: -0.56178  SlogP: 1.8455  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0187875  Sterimol/B1: 2.28567  Sterimol/B2: 2.37503  Sterimol/B3: 2.37607
  Sterimol/B4: 4.1069  Sterimol/L: 18.9132 
 
 Surface and Volume Properties
  Accessible surface: 490.946  Positive charged surface: 340.084  Negative charged surface: 150.862  Volume: 222.625
  Hydrophobic surface: 264.836  Hydrophilic surface: 226.11
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03914877
SIAL-ZINC03074815