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PUBCHEM-ZINC03074811

 MMsINC code: MMs02989852
Type: Ionized
Formula: C10H14O5-2
SMILES:   O=C(CCCCCC(=O)[O-])CCC(=O)[O-]
InChI:   InChI=1/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)/p-2

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Potential Energy
Epot(MMFF94)=8.19832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.217 g/mol  logS: -0.88091  SlogP: -1.214  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0259745  Sterimol/B1: 2.37287  Sterimol/B2: 2.37543  Sterimol/B3: 2.95049
  Sterimol/B4: 3.83667  Sterimol/L: 17.1803 
 
 Surface and Volume Properties
  Accessible surface: 445.695  Positive charged surface: 260.121  Negative charged surface: 185.574  Volume: 203.25
  Hydrophobic surface: 219.477  Hydrophilic surface: 226.218
 
 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:


MMs02989851
PUBCHEM-ZINC03074811