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NCID-ZINC04353053

 MMsINC code: MMs02383510
Type: Neutral
Formula: C6H8O6
SMILES:   O1C(C(O)C=O)C(O)C(O)C1=O
InChI:   InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=51.856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.124 g/mol  logS: 0.42752  SlogP: -2.8066  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123149  Sterimol/B1: 2.90332  Sterimol/B2: 3.01179  Sterimol/B3: 3.25173
  Sterimol/B4: 4.41966  Sterimol/L: 10.704 
 
 Surface and Volume Properties
  Accessible surface: 328.296  Positive charged surface: 206.462  Negative charged surface: 121.834  Volume: 139.25
  Hydrophobic surface: 78.1724  Hydrophilic surface: 250.1236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.