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PUBCHEM-ZINC01841425

 MMsINC code: MMs02821750
Type: Neutral
Formula: C6H3ClFNO2
SMILES:   Clc1cc(F)ccc1[N+](=O)[O-]
InChI:   InChI=1/C6H3ClFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.3103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.546 g/mol  logS: -3.20438  SlogP: 2.3873  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.77402e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09892  Sterimol/B3: 2.54015
  Sterimol/B4: 5.79123  Sterimol/L: 9.56704 
 
 Surface and Volume Properties
  Accessible surface: 303.745  Positive charged surface: 89.6412  Negative charged surface: 214.104  Volume: 127.25
  Hydrophobic surface: 230.7  Hydrophilic surface: 73.045
 
 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.