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NCID-ZINC01664382

 MMsINC code: MMs02300640
Type: Ionized
Formula: C10H16O4-2
SMILES:   O=C([O-])C(C(CCC)C(=O)[O-])CCC
InChI:   InChI=1/C10H18O4/c1-3-5-7(9(11)12)8(6-4-2)10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)/p-2/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=31.9076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -2.33138  SlogP: -0.6812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188544  Sterimol/B1: 2.36085  Sterimol/B2: 4.04517  Sterimol/B3: 4.64516
  Sterimol/B4: 5.6078  Sterimol/L: 12.7052 
 
 Surface and Volume Properties
  Accessible surface: 416.796  Positive charged surface: 240.63  Negative charged surface: 176.166  Volume: 200.75
  Hydrophobic surface: 229.99  Hydrophilic surface: 186.806
 
 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:


MMs02300639
NCID-ZINC01664382