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PUBCHEM-ZINC05879460

 MMsINC code: MMs03426118
Type: Neutral
Formula: C10H16O5
SMILES:   O1CCCC1C(CC(OC)=O)C(OC)=O
InChI:   InChI=1/C10H16O5/c1-13-9(11)6-7(10(12)14-2)8-4-3-5-15-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=23.2915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -0.7403  SlogP: 0.5177  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0784956  Sterimol/B1: 2.79383  Sterimol/B2: 3.33132  Sterimol/B3: 3.3862
  Sterimol/B4: 6.82025  Sterimol/L: 13.0742 
 
 Surface and Volume Properties
  Accessible surface: 434.942  Positive charged surface: 362.482  Negative charged surface: 72.46  Volume: 205.75
  Hydrophobic surface: 373.922  Hydrophilic surface: 61.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.