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ACROSORGANICS-ZINC01690427

 MMsINC code: MMs00011069
Type: Neutral
Formula: C7H6FNO2
SMILES:   Fc1cc([N+](=O)[O-])c(cc1)C
InChI:   InChI=1/C7H6FNO2/c1-5-2-3-6(8)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)=40.1046 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: 0.0403403  Sterimol/B1: 2.35719  Sterimol/B2: 2.50233  Sterimol/B3: 2.90036
  Sterimol/B4: 5.69427  Sterimol/L: 9.09287 
 
 Surface and Volume Properties
  Accessible surface: 308.852  Positive charged surface: 126.239  Negative charged surface: 182.613  Volume: 130.125
  Hydrophobic surface: 235.306  Hydrophilic surface: 73.546
 
 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.