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MAYBRIDGE-ZINC00895290

 MMsINC code: MMs02147679
Type: Neutral
Formula: C5H10O6
SMILES:   OC(C(O)C(O)=O)C(O)CO
InChI:   InChI=1/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4+/m1/s1

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Potential Energy
Epot(MMFF94)=48.3228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.129 g/mol  logS: 1.22378  SlogP: -2.854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146604  Sterimol/B1: 2.53514  Sterimol/B2: 3.06259  Sterimol/B3: 3.83378
  Sterimol/B4: 3.91677  Sterimol/L: 10.8034 
 
 Surface and Volume Properties
  Accessible surface: 327.761  Positive charged surface: 214.924  Negative charged surface: 112.837  Volume: 135.25
  Hydrophobic surface: 76.9459  Hydrophilic surface: 250.8151
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02147680
MAYBRIDGE-ZINC00895290