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NCID-ZINC01682452

 MMsINC code: MMs02316195
Type: Neutral
Formula: C6H10O6
SMILES:   O(C(C(O)C(OC)=O)C(O)=O)C
InChI:   InChI=1/C6H10O6/c1-11-4(5(8)9)3(7)6(10)12-2/h3-4,7H,1-2H3,(H,8,9)/t3-,4+/m0/s1

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Potential Energy
Epot(MMFF94)=39.7428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 0.06535  SlogP: -1.3801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197393  Sterimol/B1: 2.22823  Sterimol/B2: 2.54746  Sterimol/B3: 4.14652
  Sterimol/B4: 5.44219  Sterimol/L: 10.6609 
 
 Surface and Volume Properties
  Accessible surface: 349.349  Positive charged surface: 258.87  Negative charged surface: 90.4792  Volume: 151
  Hydrophobic surface: 191.823  Hydrophilic surface: 157.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs02316196
NCID-ZINC01682452