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ENAMINE-ZINC00156911

MMsINC code: MMs01225835

Type: Neutral
Formula: C12H8FNO3
SMILES:   Fc1ccccc1Oc1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C12H8FNO3/c13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)14(15)16/h1-8H

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=72.0736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.198 g/mol  logS: -4.2528  SlogP: 3.5262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130273  Sterimol/B1: 2.97207  Sterimol/B2: 3.6763  Sterimol/B3: 3.80243
  Sterimol/B4: 6.35172  Sterimol/L: 12.2412 
 
 Surface and Volume Properties
  Accessible surface: 413.658  Positive charged surface: 180.695  Negative charged surface: 232.963  Volume: 199.625
  Hydrophobic surface: 336.151  Hydrophilic surface: 77.507
 
 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.