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NCID-ZINC01732821

 MMsINC code: MMs02355443
Type: Ionized
Formula: C6H7NO6-2
SMILES:   O=C([O-])C(C[NH2+]CC(=O)[O-])C(=O)[O-]
InChI:   InChI=1/C6H9NO6/c8-4(9)2-7-1-3(5(10)11)6(12)13/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/p-2

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Potential Energy
Epot(MMFF94)=-32.2773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.123 g/mol  logS: 0.14156  SlogP: -6.5843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138647  Sterimol/B1: 2.37332  Sterimol/B2: 2.90545  Sterimol/B3: 3.43222
  Sterimol/B4: 4.46923  Sterimol/L: 11.5809 
 
 Surface and Volume Properties
  Accessible surface: 343.15  Positive charged surface: 150.999  Negative charged surface: 192.151  Volume: 146.25
  Hydrophobic surface: 77.4171  Hydrophilic surface: 265.7329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  Basic groups: 1
  Chiral centers: 0
 
 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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MMs02355442
NCID-ZINC01732821