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NCID-ZINC04692182

 MMsINC code: MMs02393801
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)=75.0019 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: 0.0404649  Sterimol/B1: 3.25725  Sterimol/B2: 3.2762  Sterimol/B3: 3.33943
  Sterimol/B4: 4.86095  Sterimol/L: 16.7749 
 
 Surface and Volume Properties
  Accessible surface: 500.44  Positive charged surface: 345.751  Negative charged surface: 154.689  Volume: 236
  Hydrophobic surface: 263.36  Hydrophilic surface: 237.08
 
 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.