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AURORAFEINCHEMIE-ZINC01081158

 MMsINC code: MMs00448002
Type: Neutral
Formula: C7H10O6
SMILES:   O1C2C(O)C3OC1OC(C2O)C3O
InChI:   InChI=1/C7H10O6/c8-1-4-2(9)6-3(10)5(1)12-7(11-4)13-6/h1-10H/t1-,2-,3-,4-,5+,6-,7+

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Potential Energy
Epot(MMFF94)=55.689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.151 g/mol  logS: 0.70615  SlogP: -2.4509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.690828  Sterimol/B1: 3.06252  Sterimol/B2: 3.38209  Sterimol/B3: 4.44833
  Sterimol/B4: 4.68237  Sterimol/L: 8.16765 
 
 Surface and Volume Properties
  Accessible surface: 316.943  Positive charged surface: 238.302  Negative charged surface: 78.6414  Volume: 146.75
  Hydrophobic surface: 125.134  Hydrophilic surface: 191.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.