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CHEMBRIDGE-ZINC00310152

 MMsINC code: MMs00606097
Type: Neutral
Formula: C14H10F2N2O4
SMILES:   Fc1cc(F)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C14H10F2N2O4/c15-9-1-6-13(12(16)7-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.5694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.24 g/mol  logS: -4.81188  SlogP: 2.8905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104799  Sterimol/B1: 2.26919  Sterimol/B2: 2.74372  Sterimol/B3: 2.94207
  Sterimol/B4: 5.24877  Sterimol/L: 18.1582 
 
 Surface and Volume Properties
  Accessible surface: 518.092  Positive charged surface: 230.044  Negative charged surface: 288.048  Volume: 252.625
  Hydrophobic surface: 383.45  Hydrophilic surface: 134.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.