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ACROSORGANICS-ZINC01706175

 MMsINC code: MMs00011472
Type: Neutral
Formula: C7H6FNO2
SMILES:   Fc1cccc([N+](=O)[O-])c1C
InChI:   InChI=1/C7H6FNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.5065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.128 g/mol  logS: -2.63056  SlogP: 2.04232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0419107  Sterimol/B1: 2.36116  Sterimol/B2: 2.5028  Sterimol/B3: 3.09409
  Sterimol/B4: 5.70935  Sterimol/L: 8.84521 
 
 Surface and Volume Properties
  Accessible surface: 306.285  Positive charged surface: 128.928  Negative charged surface: 177.357  Volume: 130.25
  Hydrophobic surface: 234.001  Hydrophilic surface: 72.284
 
 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.