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NCID-ZINC01614562

 MMsINC code: MMs02264391
Type: Neutral
Formula: C6H3FINO2
SMILES:   Ic1ccc([N+](=O)[O-])cc1F
InChI:   InChI=1/C6H3FINO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.364 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: 2.70171e-07  Sterimol/B1: 2.35698  Sterimol/B2: 2.35902  Sterimol/B3: 2.47218
  Sterimol/B4: 5.00637  Sterimol/L: 11.1434 
 
 Surface and Volume Properties
  Accessible surface: 334.111  Positive charged surface: 80.2269  Negative charged surface: 253.885  Volume: 143.75
  Hydrophobic surface: 251.242  Hydrophilic surface: 82.869
 
 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.