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APOLLO-ZINC02557665

 MMsINC code: MMs00053507
Type: Neutral
Formula: C7H5FN2O4
SMILES:   Fc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChI:   InChI=1/C7H5FN2O4/c1-4-2-5(8)7(10(13)14)3-6(4)9(11)12/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.0012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.125 g/mol  logS: -3.42079  SlogP: 1.95052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256383  Sterimol/B1: 2.37512  Sterimol/B2: 2.50468  Sterimol/B3: 3.24181
  Sterimol/B4: 5.55648  Sterimol/L: 10.258 
 
 Surface and Volume Properties
  Accessible surface: 340.504  Positive charged surface: 111.201  Negative charged surface: 229.303  Volume: 148.25
  Hydrophobic surface: 187.861  Hydrophilic surface: 152.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.