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NCID-ZINC01674334

 MMsINC code: MMs02309951
Type: Ionized
Formula: C10H16O5-2
SMILES:   O(CCCCC(=O)[O-])CCCCC(=O)[O-]
InChI:   InChI=1/C10H18O5/c11-9(12)5-1-3-7-15-8-4-2-6-10(13)14/h1-8H2,(H,11,12)(H,13,14)/p-2

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Potential Energy
Epot(MMFF94)=13.5004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -0.81668  SlogP: -1.1566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235612  Sterimol/B1: 2.37878  Sterimol/B2: 2.37927  Sterimol/B3: 2.85916
  Sterimol/B4: 3.05999  Sterimol/L: 18.1336 
 
 Surface and Volume Properties
  Accessible surface: 472.88  Positive charged surface: 304.973  Negative charged surface: 167.907  Volume: 208.5
  Hydrophobic surface: 271.374  Hydrophilic surface: 201.506
 
 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:


MMs02309950
NCID-ZINC01674334