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NCID-ZINC05339392

 MMsINC code: MMs02452425
Type: Neutral
Formula: C8H16O8
SMILES:   O(C(=O)C(O)C(O)C(O)C(O)C(O)CO)C
InChI:   InChI=1/C8H16O8/c1-16-8(15)7(14)6(13)5(12)4(11)3(10)2-9/h3-7,9-14H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1

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Potential Energy
Epot(MMFF94)=90.0783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.208 g/mol  logS: 1.21653  SlogP: -4.0438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0957432  Sterimol/B1: 2.55591  Sterimol/B2: 3.01806  Sterimol/B3: 4.06332
  Sterimol/B4: 5.09974  Sterimol/L: 14.6691 
 
 Surface and Volume Properties
  Accessible surface: 438.69  Positive charged surface: 319.64  Negative charged surface: 119.05  Volume: 204.25
  Hydrophobic surface: 184.457  Hydrophilic surface: 254.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.