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NCID-ZINC05502334

 MMsINC code: MMs02469013
Type: Neutral
Formula: C6H13NO6
SMILES:   O1C(CO)C(O)C(O)C(O)C1NO
InChI:   InChI=1/C6H13NO6/c8-1-2-3(9)4(10)5(11)6(7-12)13-2/h2-12H,1H2/t2-,3+,4-,5-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=85.7081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.171 g/mol  logS: 1.55266  SlogP: -3.2349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226885  Sterimol/B1: 3.17054  Sterimol/B2: 3.57455  Sterimol/B3: 4.36599
  Sterimol/B4: 4.61914  Sterimol/L: 9.90729 
 
 Surface and Volume Properties
  Accessible surface: 362.897  Positive charged surface: 274.357  Negative charged surface: 88.5395  Volume: 162.5
  Hydrophobic surface: 114.55  Hydrophilic surface: 248.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.