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NCID-ZINC03869646

 MMsINC code: MMs02381217
Type: Neutral
Formula: C6H10O6
SMILES:   OC1C(O)C(O)C(=O)C(O)C1O
InChI:   InChI=1/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4-,5-/m1/s1

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Potential Energy
Epot(MMFF94)=62.6192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 0.94197  SlogP: -3.6264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.210896  Sterimol/B1: 2.80649  Sterimol/B2: 3.09815  Sterimol/B3: 3.28787
  Sterimol/B4: 5.22105  Sterimol/L: 9.23498 
 
 Surface and Volume Properties
  Accessible surface: 326.629  Positive charged surface: 218.225  Negative charged surface: 108.404  Volume: 141.75
  Hydrophobic surface: 73.6726  Hydrophilic surface: 252.9564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.