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SIAL-ZINC02573722

 MMsINC code: MMs03914622
Type: Ionized
Formula: C11H18O4-2
SMILES:   O=C([O-])C(CCCC)(CCCC)C(=O)[O-]
InChI:   InChI=1/C11H20O4/c1-3-5-7-11(9(12)13,10(14)15)8-6-4-2/h3-8H2,1-2H3,(H,12,13)(H,14,15)/p-2

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Potential Energy
Epot(MMFF94)=26.9781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.261 g/mol  logS: -3.4799  SlogP: -0.147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780031  Sterimol/B1: 2.90947  Sterimol/B2: 4.02943  Sterimol/B3: 4.04492
  Sterimol/B4: 4.30966  Sterimol/L: 14.777 
 
 Surface and Volume Properties
  Accessible surface: 444.679  Positive charged surface: 280.166  Negative charged surface: 164.513  Volume: 217.125
  Hydrophobic surface: 276.945  Hydrophilic surface: 167.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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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MMs03914621
SIAL-ZINC02573722