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NCID-ZINC04403102

 MMsINC code: MMs02384577
Type: Neutral
Formula: C8H18O8
SMILES:   OC(C(O)C(O)C(O)CO)C(O)C(O)CO
InChI:   InChI=1/C8H18O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3-16H,1-2H2/t3-,4+,5-,6+,7-,8+

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Potential Energy
Epot(MMFF94)=118.144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.224 g/mol  logS: 2.02978  SlogP: -4.8636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517631  Sterimol/B1: 2.67413  Sterimol/B2: 3.18629  Sterimol/B3: 3.20739
  Sterimol/B4: 3.70143  Sterimol/L: 15.3432 
 
 Surface and Volume Properties
  Accessible surface: 427.675  Positive charged surface: 315.741  Negative charged surface: 111.934  Volume: 205.375
  Hydrophobic surface: 147.576  Hydrophilic surface: 280.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.