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PUBCHEM-ZINC03650100

 MMsINC code: MMs03033715
Type: Neutral
Formula: C6H11NO6
SMILES:   OC(C(N)C=O)C(O)C(O)C(O)=O
InChI:   InChI=1/C6H11NO6/c7-2(1-8)3(9)4(10)5(11)6(12)13/h1-5,9-11H,7H2,(H,12,13)/t2-,3-,4+,5+/m1/s1

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Potential Energy
Epot(MMFF94)=65.7593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.155 g/mol  logS: 1.29733  SlogP: -3.3201  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.195299  Sterimol/B1: 3.12221  Sterimol/B2: 3.28006  Sterimol/B3: 3.48594
  Sterimol/B4: 3.54137  Sterimol/L: 11.3831 
 
 Surface and Volume Properties
  Accessible surface: 351.722  Positive charged surface: 219.659  Negative charged surface: 132.063  Volume: 157.75
  Hydrophobic surface: 58.2451  Hydrophilic surface: 293.4769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03033716
PUBCHEM-ZINC03650100