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PUBCHEM-ZINC03080653

 MMsINC code: MMs02990946
Type: Neutral
Formula: C15H15NO2
SMILES:   O=[N+]([O-])c1ccc(cc1)C(C)(C)c1ccccc1
InChI:   InChI=1/C15H15NO2/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)16(17)18/h3-11H,1-2H3

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Potential Energy
Epot(MMFF94)=91.7056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.29 g/mol  logS: -5.32193  SlogP: 3.9207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222867  Sterimol/B1: 2.24977  Sterimol/B2: 2.76418  Sterimol/B3: 4.76811
  Sterimol/B4: 6.25989  Sterimol/L: 13.1636 
 
 Surface and Volume Properties
  Accessible surface: 450.086  Positive charged surface: 223.879  Negative charged surface: 226.207  Volume: 239.625
  Hydrophobic surface: 337.672  Hydrophilic surface: 112.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.