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ALFAAESAR-ZINC02526231

 MMsINC code: MMs00023420
Type: Neutral
Formula: C6H3FINO2
SMILES:   Ic1ccc(F)cc1[N+](=O)[O-]
InChI:   InChI=1/C6H3FINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.8275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.997 g/mol  logS: -3.46161  SlogP: 2.3385  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.49457e-07  Sterimol/B1: 2.35633  Sterimol/B2: 2.35967  Sterimol/B3: 4.03153
  Sterimol/B4: 4.79437  Sterimol/L: 9.32313 
 
 Surface and Volume Properties
  Accessible surface: 322.993  Positive charged surface: 85.2991  Negative charged surface: 237.694  Volume: 143.75
  Hydrophobic surface: 255.445  Hydrophilic surface: 67.548
 
 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.