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PUBCHEM-ZINC02009203

 MMsINC code: MMs02848125
Type: Neutral
Formula: C14H11NO5
SMILES:   o1c2c(c3c(ccc(OC)c3OC)cc2)cc1[N+](=O)[O-]
InChI:   InChI=1/C14H11NO5/c1-18-11-6-4-8-3-5-10-9(13(8)14(11)19-2)7-12(20-10)15(16)17/h3-7H,1-2H3

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Potential Energy
Epot(MMFF94)=98.4507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.244 g/mol  logS: -5.91034  SlogP: 3.5114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289798  Sterimol/B1: 2.28998  Sterimol/B2: 3.18317  Sterimol/B3: 4.08889
  Sterimol/B4: 6.36508  Sterimol/L: 14.3129 
 
 Surface and Volume Properties
  Accessible surface: 462.624  Positive charged surface: 263.569  Negative charged surface: 183.801  Volume: 236.125
  Hydrophobic surface: 336.483  Hydrophilic surface: 126.141
 
 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.