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MDPI-ZINC03843335

 MMsINC code: MMs02176777
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-/m0/s1

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Potential Energy
Epot(MMFF94)=0.36073 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: 0.0926438  Sterimol/B1: 2.87159  Sterimol/B2: 3.21457  Sterimol/B3: 4.15515
  Sterimol/B4: 4.25967  Sterimol/L: 12.2243 
 
 Surface and Volume Properties
  Accessible surface: 393.981  Positive charged surface: 275.998  Negative charged surface: 117.983  Volume: 196.625
  Hydrophobic surface: 283.883  Hydrophilic surface: 110.098
 
 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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Parent related molecule:


MMs02176776
MDPI-ZINC03843335