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ACROSORGANICS-ZINC01690401

 MMsINC code: MMs00011062
Type: Neutral
Formula: C6H4FNO2
SMILES:   Fc1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.8049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.101 g/mol  logS: -2.47009  SlogP: 1.7339  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.54739e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09885  Sterimol/B3: 2.4394
  Sterimol/B4: 5.03478  Sterimol/L: 9.26474 
 
 Surface and Volume Properties
  Accessible surface: 288.682  Positive charged surface: 101.302  Negative charged surface: 187.38  Volume: 113
  Hydrophobic surface: 205.813  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.