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NCID-ZINC01682446

 MMsINC code: MMs02316185
Type: Neutral
Formula: C5H8O6
SMILES:   O(C(=O)C(O)C(O)C(O)=O)C
InChI:   InChI=1/C5H8O6/c1-11-5(10)3(7)2(6)4(8)9/h2-3,6-7H,1H3,(H,8,9)/t2-,3+/m0/s1

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Potential Energy
Epot(MMFF94)=32.9401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.113 g/mol  logS: 0.41053  SlogP: -2.0342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714722  Sterimol/B1: 2.88767  Sterimol/B2: 3.09609  Sterimol/B3: 3.23257
  Sterimol/B4: 3.8315  Sterimol/L: 10.8626 
 
 Surface and Volume Properties
  Accessible surface: 327.231  Positive charged surface: 223.939  Negative charged surface: 103.292  Volume: 133.75
  Hydrophobic surface: 124.396  Hydrophilic surface: 202.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02316186
NCID-ZINC01682446