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PUBCHEM-ZINC02029340

 MMsINC code: MMs02858491
Type: Ionized
Formula: C11H18O4-2
SMILES:   O=C([O-])C(CCCCCC(C(=O)[O-])C)C
InChI:   InChI=1/C11H20O4/c1-8(10(12)13)6-4-3-5-7-9(2)11(14)15/h8-9H,3-7H2,1-2H3,(H,12,13)(H,14,15)/p-2/t8-,9+

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Potential Energy
Epot(MMFF94)=21.2818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.261 g/mol  logS: -2.2197  SlogP: -0.2911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510727  Sterimol/B1: 2.22014  Sterimol/B2: 2.58543  Sterimol/B3: 3.19765
  Sterimol/B4: 4.67771  Sterimol/L: 15.5044 
 
 Surface and Volume Properties
  Accessible surface: 460.673  Positive charged surface: 275.504  Negative charged surface: 185.169  Volume: 218.375
  Hydrophobic surface: 258.066  Hydrophilic surface: 202.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs02858490
PUBCHEM-ZINC02029340