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NCID-ZINC04403148

 MMsINC code: MMs02384594
Type: Neutral
Formula: C8H14O8
SMILES:   O1C(C(O)C(O)C(O)CO)C(O)C(O)C1=O
InChI:   InChI=1/C8H14O8/c9-1-2(10)3(11)4(12)7-5(13)6(14)8(15)16-7/h2-7,9-14H,1H2/t2-,3-,4+,5-,6+,7-/m1/s1

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Potential Energy
Epot(MMFF94)=109.877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.192 g/mol  logS: 1.06769  SlogP: -4.2914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106493  Sterimol/B1: 3.09243  Sterimol/B2: 3.35981  Sterimol/B3: 3.80337
  Sterimol/B4: 4.00171  Sterimol/L: 12.7597 
 
 Surface and Volume Properties
  Accessible surface: 406.158  Positive charged surface: 289.204  Negative charged surface: 116.954  Volume: 191.625
  Hydrophobic surface: 128.946  Hydrophilic surface: 277.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.