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ACROSORGANICS-ZINC01628020

 MMsINC code: MMs00009970
Type: Neutral
Formula: C7H6FNO2
SMILES:   Fc1cc(ccc1[N+](=O)[O-])C
InChI:   InChI=1/C7H6FNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.0134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.128 g/mol  logS: -2.94401  SlogP: 2.04232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0188298  Sterimol/B1: 2.10351  Sterimol/B2: 2.51228  Sterimol/B3: 3.66462
  Sterimol/B4: 3.81612  Sterimol/L: 10.1542 
 
 Surface and Volume Properties
  Accessible surface: 314.577  Positive charged surface: 131.009  Negative charged surface: 183.568  Volume: 131.75
  Hydrophobic surface: 234.662  Hydrophilic surface: 79.915
 
 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.