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PUBCHEM-ZINC06032173

 MMsINC code: MMs03504858
Type: Neutral
Formula: C10H16O8
SMILES:   O1C2C(OC(OC2)(C(O)=O)C)C(O)C(O)C1OC
InChI:   InChI=1/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=95.8923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.23 g/mol  logS: -0.31344  SlogP: -1.7043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238529  Sterimol/B1: 2.97594  Sterimol/B2: 4.41293  Sterimol/B3: 4.77871
  Sterimol/B4: 5.08696  Sterimol/L: 11.609 
 
 Surface and Volume Properties
  Accessible surface: 447.838  Positive charged surface: 335.68  Negative charged surface: 112.158  Volume: 217.375
  Hydrophobic surface: 232.022  Hydrophilic surface: 215.816
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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


MMs03504859
PUBCHEM-ZINC06032173