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NCID-ZINC01529632

 MMsINC code: MMs02218765
Type: Neutral
Formula: C6H10O7
SMILES:   OC(C(O)C(=O)C(O)=O)C(O)CO
InChI:   InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=64.5248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.139 g/mol  logS: 0.89243  SlogP: -3.2849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0870159  Sterimol/B1: 2.47652  Sterimol/B2: 2.55796  Sterimol/B3: 3.42366
  Sterimol/B4: 4.6479  Sterimol/L: 11.8098 
 
 Surface and Volume Properties
  Accessible surface: 354.021  Positive charged surface: 221.926  Negative charged surface: 132.094  Volume: 155.125
  Hydrophobic surface: 77.06  Hydrophilic surface: 276.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs02218766
NCID-ZINC01529632