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NCID-ZINC01706144

 MMsINC code: MMs02334556
Type: Neutral
Formula: C6H2Cl2FNO2
SMILES:   Clc1c(F)c(Cl)ccc1[N+](=O)[O-]
InChI:   InChI=1/C6H2Cl2FNO2/c7-3-1-2-4(10(11)12)5(8)6(3)9/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.991 g/mol  logS: -3.93867  SlogP: 3.0407  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.76199e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09888  Sterimol/B3: 2.43436
  Sterimol/B4: 5.91758  Sterimol/L: 10.4733 
 
 Surface and Volume Properties
  Accessible surface: 327.029  Positive charged surface: 74.2347  Negative charged surface: 252.794  Volume: 143.25
  Hydrophobic surface: 253.546  Hydrophilic surface: 73.483
 
 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.