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SIAL-ZINC03074815

 MMsINC code: MMs03914877
Type: Ionized
Formula: C11H16O5-2
SMILES:   O=C(CCCCCC(=O)[O-])CCCC(=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)/p-2

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Potential Energy
Epot(MMFF94)=11.6324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.244 g/mol  logS: -1.08268  SlogP: -0.8239  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0223231  Sterimol/B1: 2.20687  Sterimol/B2: 2.38803  Sterimol/B3: 2.39662
  Sterimol/B4: 3.79717  Sterimol/L: 18.4437 
 
 Surface and Volume Properties
  Accessible surface: 479.454  Positive charged surface: 291.683  Negative charged surface: 187.771  Volume: 217.25
  Hydrophobic surface: 252.108  Hydrophilic surface: 227.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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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Parent related molecule:


MMs03914876
SIAL-ZINC03074815