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NCID-ZINC02024556

 MMsINC code: MMs02377998
Type: Neutral
Formula: C11H15NO4
SMILES:   O(C(OCC)c1ccc([N+](=O)[O-])cc1)CC
InChI:   InChI=1/C11H15NO4/c1-3-15-11(16-4-2)9-5-7-10(8-6-9)12(13)14/h5-8,11H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=58.2091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.244 g/mol  logS: -2.9691  SlogP: 2.7619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614672  Sterimol/B1: 2.30848  Sterimol/B2: 3.16204  Sterimol/B3: 3.21535
  Sterimol/B4: 7.82938  Sterimol/L: 13.0129 
 
 Surface and Volume Properties
  Accessible surface: 466.762  Positive charged surface: 262.495  Negative charged surface: 204.267  Volume: 216.625
  Hydrophobic surface: 327.738  Hydrophilic surface: 139.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules: no related molecules available.