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PUBCHEM-ZINC05041706

 MMsINC code: MMs03191885
Type: Neutral
Formula: C13H10FN3O3
SMILES:   Fc1ccccc1NC(=O)Nc1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C13H10FN3O3/c14-9-5-1-2-6-10(9)15-13(18)16-11-7-3-4-8-12(11)17(19)20/h1-8H,(H2,15,16,18)

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Potential Energy
Epot(MMFF94)=75.9091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.239 g/mol  logS: -4.33726  SlogP: 3.3779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051425  Sterimol/B1: 2.43056  Sterimol/B2: 2.50296  Sterimol/B3: 3.95916
  Sterimol/B4: 6.53107  Sterimol/L: 14.4084 
 
 Surface and Volume Properties
  Accessible surface: 471.137  Positive charged surface: 221.18  Negative charged surface: 249.958  Volume: 233.375
  Hydrophobic surface: 353.271  Hydrophilic surface: 117.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.