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PUBCHEM-ZINC03872699

 MMsINC code: MMs03081405
Type: Neutral
Formula: C6H11NO6
SMILES:   O1C(C(=O)N)C(O)C(O)C(O)C1O
InChI:   InChI=1/C6H11NO6/c7-5(11)4-2(9)1(8)3(10)6(12)13-4/h1-4,6,8-10,12H,(H2,7,11)/t1-,2-,3+,4+,6-/m0/s1

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Potential Energy
Epot(MMFF94)=65.3729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.155 g/mol  logS: 0.76885  SlogP: -3.7284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266057  Sterimol/B1: 2.34165  Sterimol/B2: 3.1521  Sterimol/B3: 3.50396
  Sterimol/B4: 5.52595  Sterimol/L: 9.83151 
 
 Surface and Volume Properties
  Accessible surface: 347.528  Positive charged surface: 247.268  Negative charged surface: 100.259  Volume: 152.125
  Hydrophobic surface: 72.9072  Hydrophilic surface: 274.6208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.