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PUBCHEM-ZINC06031679

 MMsINC code: MMs03504289
Type: Neutral
Formula: C6H10O4
SMILES:   O1CC(O)C(=O)C(O)C1C
InChI:   InChI=1/C6H10O4/c1-3-5(8)6(9)4(7)2-10-3/h3-5,7-8H,2H2,1H3/t3-,4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=43.0777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.142 g/mol  logS: -0.1355  SlogP: -1.304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245094  Sterimol/B1: 2.75918  Sterimol/B2: 3.37024  Sterimol/B3: 3.79789
  Sterimol/B4: 4.15548  Sterimol/L: 8.84407 
 
 Surface and Volume Properties
  Accessible surface: 309.716  Positive charged surface: 218.702  Negative charged surface: 91.0138  Volume: 130.875
  Hydrophobic surface: 157.823  Hydrophilic surface: 151.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.