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PUBCHEM-ZINC06824116

 MMsINC code: MMs03868591
Type: Neutral
Formula: C10H11NO5
SMILES:   O(C(C(OC)=O)C)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C10H11NO5/c1-7(10(12)15-2)16-9-5-3-8(4-6-9)11(13)14/h3-7H,1-2H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=68.8588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.2 g/mol  logS: -2.96087  SlogP: 1.5351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606105  Sterimol/B1: 2.26389  Sterimol/B2: 2.38752  Sterimol/B3: 4.27735
  Sterimol/B4: 5.21089  Sterimol/L: 14.8556 
 
 Surface and Volume Properties
  Accessible surface: 427.083  Positive charged surface: 236.457  Negative charged surface: 190.626  Volume: 196.5
  Hydrophobic surface: 280.762  Hydrophilic surface: 146.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.