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NCID-ZINC01709641

 MMsINC code: MMs02337021
Type: Neutral
Formula: C6H10O6
SMILES:   OC(C(O)C(=O)C=O)C(O)CO
InChI:   InChI=1/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2/t4-,5+,6+/m0/s1

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Potential Energy
Epot(MMFF94)=67.1693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 0.85572  SlogP: -3.1706  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.129664  Sterimol/B1: 2.8018  Sterimol/B2: 2.92347  Sterimol/B3: 3.43943
  Sterimol/B4: 4.16312  Sterimol/L: 11.7031 
 
 Surface and Volume Properties
  Accessible surface: 339.093  Positive charged surface: 209.792  Negative charged surface: 129.301  Volume: 148.25
  Hydrophobic surface: 96.5214  Hydrophilic surface: 242.5716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.