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ASINEX-ZINC05003807

 MMsINC code: MMs00433299
Type: Neutral
Formula: C7H7FN2O2
SMILES:   Fc1ccccc1C[N+]([O-])=NO
InChI:   InChI=1/C7H7FN2O2/c8-7-4-2-1-3-6(7)5-10(12)9-11/h1-4,11H,5H2/b10-9-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.8472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.143 g/mol  logS: -1.74658  SlogP: 1.9438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128065  Sterimol/B1: 2.46347  Sterimol/B2: 2.86445  Sterimol/B3: 3.42178
  Sterimol/B4: 5.22552  Sterimol/L: 11.2149 
 
 Surface and Volume Properties
  Accessible surface: 344.622  Positive charged surface: 167.284  Negative charged surface: 177.338  Volume: 144.75
  Hydrophobic surface: 230.964  Hydrophilic surface: 113.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.