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PUBCHEM-ZINC05113027

 MMsINC code: MMs03201425
Type: Ionized
Formula: C10H17O6-
SMILES:   O(C(=O)CCCCC(=O)[O-])CCOCCO
InChI:   InChI=1/C10H18O6/c11-5-6-15-7-8-16-10(14)4-2-1-3-9(12)13/h11H,1-8H2,(H,12,13)/p-1

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Potential Energy
Epot(MMFF94)=20.1307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.24 g/mol  logS: -0.36248  SlogP: -1.1512  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0416059  Sterimol/B1: 2.85516  Sterimol/B2: 3.51688  Sterimol/B3: 3.63293
  Sterimol/B4: 4.70615  Sterimol/L: 16.9022 
 
 Surface and Volume Properties
  Accessible surface: 494.887  Positive charged surface: 355.484  Negative charged surface: 139.403  Volume: 219.625
  Hydrophobic surface: 312.483  Hydrophilic surface: 182.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs03201424
PUBCHEM-ZINC05113027