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NCID-ZINC04353150

 MMsINC code: MMs02383580
Type: Neutral
Formula: C7H7FN2O3
SMILES:   Fc1cc(N)c([N+](=O)[O-])cc1OC
InChI:   InChI=1/C7H7FN2O3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.0716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.142 g/mol  logS: -2.24135  SlogP: 1.3247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226839  Sterimol/B1: 2.42639  Sterimol/B2: 2.46187  Sterimol/B3: 4.47808
  Sterimol/B4: 4.87732  Sterimol/L: 10.7714 
 
 Surface and Volume Properties
  Accessible surface: 338.509  Positive charged surface: 185.034  Negative charged surface: 153.475  Volume: 149.75
  Hydrophobic surface: 202.389  Hydrophilic surface: 136.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.