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APOLLO-ZINC02557001

 MMsINC code: MMs00053436
Type: Neutral
Formula: C6H3F2NO2
SMILES:   Fc1cccc(F)c1[N+](=O)[O-]
InChI:   InChI=1/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.4887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.091 g/mol  logS: -2.76507  SlogP: 1.873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475758  Sterimol/B1: 2.8635  Sterimol/B2: 2.86662  Sterimol/B3: 3.86437
  Sterimol/B4: 3.8646  Sterimol/L: 9.23211 
 
 Surface and Volume Properties
  Accessible surface: 294.758  Positive charged surface: 90.205  Negative charged surface: 204.553  Volume: 116
  Hydrophobic surface: 211.566  Hydrophilic surface: 83.192
 
 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.