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NCID-ZINC04403260

 MMsINC code: MMs02384670
Type: Neutral
Formula: C6H12O5
SMILES:   OC1(CO)C(O)(C)C(O)C1O
InChI:   InChI=1/C6H12O5/c1-5(10)3(8)4(9)6(5,11)2-7/h3-4,7-11H,2H2,1H3/t3-,4+,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=54.5543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.157 g/mol  logS: 0.94611  SlogP: -2.8038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.375741  Sterimol/B1: 2.25622  Sterimol/B2: 3.29434  Sterimol/B3: 3.60438
  Sterimol/B4: 6.20242  Sterimol/L: 9.1957 
 
 Surface and Volume Properties
  Accessible surface: 330.245  Positive charged surface: 218.647  Negative charged surface: 77.9296  Volume: 143.25
  Hydrophobic surface: 112.437  Hydrophilic surface: 217.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.