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NCID-ZINC05701094

 MMsINC code: MMs02486994
Type: Neutral
Formula: C6H5FN2O2
SMILES:   Fc1cc(N)ccc1[N+](=O)[O-]
InChI:   InChI=1/C6H5FN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.6502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.116 g/mol  logS: -2.19097  SlogP: 1.3161  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.73598e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.0988  Sterimol/B3: 2.44092
  Sterimol/B4: 5.03885  Sterimol/L: 10.0227 
 
 Surface and Volume Properties
  Accessible surface: 304.498  Positive charged surface: 138.426  Negative charged surface: 166.072  Volume: 123.75
  Hydrophobic surface: 161.641  Hydrophilic surface: 142.857
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.