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PUBCHEM-ZINC06032204

 MMsINC code: MMs03504901
Type: Neutral
Formula: C10H16O6
SMILES:   O1C2(OCCC2(OC12CCOC2(O)C)O)C
InChI:   InChI=1/C10H16O6/c1-7(11)10(4-6-13-7)15-8(2)9(12,16-10)3-5-14-8/h11-12H,3-6H2,1-2H3/t7-,8-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=129.9 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.232 g/mol  logS: -1.48434  SlogP: -0.3166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184358  Sterimol/B1: 2.26636  Sterimol/B2: 2.32129  Sterimol/B3: 4.43467
  Sterimol/B4: 5.54817  Sterimol/L: 10.8365 
 
 Surface and Volume Properties
  Accessible surface: 385.064  Positive charged surface: 276.197  Negative charged surface: 108.867  Volume: 198.625
  Hydrophobic surface: 236.552  Hydrophilic surface: 148.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.