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APOLLO-ZINC04348113

 MMsINC code: MMs00059174
Type: Neutral
Formula: C6H5FN2O2
SMILES:   Fc1cc([N+](=O)[O-])ccc1N
InChI:   InChI=1/C6H5FN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.2634 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: 2.02207e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09893  Sterimol/B3: 2.45121
  Sterimol/B4: 5.04017  Sterimol/L: 10.0238 
 
 Surface and Volume Properties
  Accessible surface: 305.318  Positive charged surface: 133.417  Negative charged surface: 171.901  Volume: 125.5
  Hydrophobic surface: 162.365  Hydrophilic surface: 142.953
 
 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.