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MDPI-ZINC03845741

 MMsINC code: MMs02179080
Type: Ionized
Formula: C10H16O4-2
SMILES:   O=C([O-])C(C(C)C)CCC(C(=O)[O-])C
InChI:   InChI=1/C10H18O4/c1-6(2)8(10(13)14)5-4-7(3)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12)(H,13,14)/p-2/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=34.8016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -1.70448  SlogP: -0.8253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13081  Sterimol/B1: 2.08984  Sterimol/B2: 3.20164  Sterimol/B3: 3.56808
  Sterimol/B4: 6.35264  Sterimol/L: 12.5772 
 
 Surface and Volume Properties
  Accessible surface: 411.37  Positive charged surface: 228.01  Negative charged surface: 183.36  Volume: 198.375
  Hydrophobic surface: 207.464  Hydrophilic surface: 203.906
 
 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:


MMs02179079
MDPI-ZINC03845741