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OAKWOOD-ZINC02511041

 MMsINC code: MMs02544003
Type: Neutral
Formula: C8H8FNO4
SMILES:   Fc1cc([N+](=O)[O-])c(OC)cc1OC
InChI:   InChI=1/C8H8FNO4/c1-13-7-4-8(14-2)6(10(11)12)3-5(7)9/h3-4H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.3584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.153 g/mol  logS: -2.57085  SlogP: 1.7511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300011  Sterimol/B1: 2.37414  Sterimol/B2: 2.37975  Sterimol/B3: 2.47726
  Sterimol/B4: 7.73507  Sterimol/L: 11.5343 
 
 Surface and Volume Properties
  Accessible surface: 368.358  Positive charged surface: 225.18  Negative charged surface: 143.178  Volume: 164.375
  Hydrophobic surface: 278.47  Hydrophilic surface: 89.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.