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NCID-ZINC04692181

 MMsINC code: MMs02393800
Type: Neutral
Formula: C10H18O8
SMILES:   O(C(=O)C(O)C(O)C(O)C(O)C(OCC)=O)CC
InChI:   InChI=1/C10H18O8/c1-3-17-9(15)7(13)5(11)6(12)8(14)10(16)18-4-2/h5-8,11-14H,3-4H2,1-2H3/t5-,6+,7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=72.4784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.246 g/mol  logS: -0.25114  SlogP: -2.4438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0761182  Sterimol/B1: 2.42691  Sterimol/B2: 2.71388  Sterimol/B3: 4.73862
  Sterimol/B4: 5.51689  Sterimol/L: 16.2122 
 
 Surface and Volume Properties
  Accessible surface: 496.415  Positive charged surface: 340.521  Negative charged surface: 155.894  Volume: 234.875
  Hydrophobic surface: 256.401  Hydrophilic surface: 240.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.