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MDPI-ZINC03843334

 MMsINC code: MMs02176775
Type: Ionized
Formula: C10H15O5-
SMILES:   O(C(=O)C1CCCCC1C(=O)[O-])CCO
InChI:   InChI=1/C10H16O5/c11-5-6-15-10(14)8-4-2-1-3-7(8)9(12)13/h7-8,11H,1-6H2,(H,12,13)/p-1/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=13.7061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.225 g/mol  logS: -1.14824  SlogP: -0.9218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106707  Sterimol/B1: 3.00986  Sterimol/B2: 3.55436  Sterimol/B3: 3.68594
  Sterimol/B4: 5.81298  Sterimol/L: 12.5056 
 
 Surface and Volume Properties
  Accessible surface: 415.495  Positive charged surface: 285.216  Negative charged surface: 130.279  Volume: 197.75
  Hydrophobic surface: 272.869  Hydrophilic surface: 142.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs02176774
MDPI-ZINC03843334