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ACROSORGANICS-ZINC01555576

 MMsINC code: MMs00009179
Type: Neutral
Formula: C6H10O6
SMILES:   O(C(=O)C(O)C(O)C(OC)=O)C
InChI:   InChI=1/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m1/s1

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Potential Energy
Epot(MMFF94)=38.758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: -0.0018  SlogP: -1.9458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919316  Sterimol/B1: 2.37392  Sterimol/B2: 3.0309  Sterimol/B3: 3.3919
  Sterimol/B4: 4.11857  Sterimol/L: 11.7866 
 
 Surface and Volume Properties
  Accessible surface: 364.793  Positive charged surface: 269.357  Negative charged surface: 95.437  Volume: 148.5
  Hydrophobic surface: 216.726  Hydrophilic surface: 148.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.