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NCID-ZINC05372839

 MMsINC code: MMs02456564
Type: Neutral
Formula: C5H11NO6
SMILES:   OC(C(O)C(=O)NO)C(O)CO
InChI:   InChI=1/C5H11NO6/c7-1-2(8)3(9)4(10)5(11)6-12/h2-4,7-10,12H,1H2,(H,6,11)/t2-,3+,4+/m1/s1

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Potential Energy
Epot(MMFF94)=77.2697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.144 g/mol  logS: 1.13767  SlogP: -3.4332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119992  Sterimol/B1: 2.55403  Sterimol/B2: 2.66251  Sterimol/B3: 3.92069
  Sterimol/B4: 4.50985  Sterimol/L: 11.7496 
 
 Surface and Volume Properties
  Accessible surface: 347.411  Positive charged surface: 220.952  Negative charged surface: 126.458  Volume: 146.75
  Hydrophobic surface: 76.5097  Hydrophilic surface: 270.9013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.