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NCID-ZINC05051792

 MMsINC code: MMs02433510
Type: Neutral
Formula: C7H12O6
SMILES:   O1C(C(OC)=O)C(O)C(O)C1CO
InChI:   InChI=1/C7H12O6/c1-12-7(11)6-5(10)4(9)3(2-8)13-6/h3-6,8-10H,2H2,1H3/t3-,4+,5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=66.0709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.167 g/mol  logS: 0.31743  SlogP: -2.3591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112451  Sterimol/B1: 2.92031  Sterimol/B2: 3.05494  Sterimol/B3: 3.5514
  Sterimol/B4: 4.75582  Sterimol/L: 11.9423 
 
 Surface and Volume Properties
  Accessible surface: 383.696  Positive charged surface: 296.757  Negative charged surface: 86.939  Volume: 163.75
  Hydrophobic surface: 196.588  Hydrophilic surface: 187.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.