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PUBCHEM-ZINC06036672

 MMsINC code: MMs03506571
Type: Neutral
Formula: C10H18O8
SMILES:   O1C(C(O)=O)C(O)C(O)C(O)C1OC(COC)C
InChI:   InChI=1/C10H18O8/c1-4(3-16-2)17-10-7(13)5(11)6(12)8(18-10)9(14)15/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t4-,5+,6+,7-,8+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=77.6962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.246 g/mol  logS: 0.23654  SlogP: -2.0699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123113  Sterimol/B1: 2.11456  Sterimol/B2: 4.50415  Sterimol/B3: 4.97458
  Sterimol/B4: 5.6777  Sterimol/L: 13.3603 
 
 Surface and Volume Properties
  Accessible surface: 480.336  Positive charged surface: 361.108  Negative charged surface: 119.228  Volume: 230.5
  Hydrophobic surface: 246.592  Hydrophilic surface: 233.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03506572
PUBCHEM-ZINC06036672