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CHEMBRIDGE-ZINC04811252

 MMsINC code: MMs00789782
Type: Neutral
Formula: C19H15FN2O4
SMILES:   Fc1ccc(cc1)COc1ccccc1\C=C\c1onc(C)c1[N+](=O)[O-]
InChI:   InChI=1/C19H15FN2O4/c1-13-19(22(23)24)18(26-21-13)11-8-15-4-2-3-5-17(15)25-12-14-6-9-16(20)10-7-14/h2-11H,12H2,1H3/b11-8+

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Potential Energy
Epot(MMFF94)=99.458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.337 g/mol  logS: -5.64831  SlogP: 5.04612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0471663  Sterimol/B1: 3.22935  Sterimol/B2: 3.61435  Sterimol/B3: 3.6244
  Sterimol/B4: 9.53747  Sterimol/L: 15.1433 
 
 Surface and Volume Properties
  Accessible surface: 621.412  Positive charged surface: 280.89  Negative charged surface: 340.522  Volume: 318.125
  Hydrophobic surface: 511.933  Hydrophilic surface: 109.479
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.