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NCID-ZINC05341356

 MMsINC code: MMs02453672
Type: Neutral
Formula: C7H15NO6
SMILES:   OC1(CN)C(O)C(O)C(O)C(O)C1O
InChI:   InChI=1/C7H15NO6/c8-1-7(14)5(12)3(10)2(9)4(11)6(7)13/h2-6,9-14H,1,8H2/t2-,3-,4+,5-,6-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=113.692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.198 g/mol  logS: 1.7845  SlogP: -4.5057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.387778  Sterimol/B1: 3.12404  Sterimol/B2: 4.04275  Sterimol/B3: 4.14842
  Sterimol/B4: 4.20202  Sterimol/L: 9.85639 
 
 Surface and Volume Properties
  Accessible surface: 360.478  Positive charged surface: 300.166  Negative charged surface: 60.312  Volume: 174.625
  Hydrophobic surface: 103.023  Hydrophilic surface: 257.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.