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ENAMINE-ZINC00139462

 MMsINC code: MMs01225322
Type: Neutral
Formula: C7H5Cl2NO2
SMILES:   ClC(Cl)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C7H5Cl2NO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.028 g/mol  logS: -3.55996  SlogP: 3.1665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276525  Sterimol/B1: 2.42021  Sterimol/B2: 2.5869  Sterimol/B3: 2.81203
  Sterimol/B4: 4.8148  Sterimol/L: 10.8386 
 
 Surface and Volume Properties
  Accessible surface: 353.754  Positive charged surface: 92.0988  Negative charged surface: 261.655  Volume: 157.875
  Hydrophobic surface: 151.394  Hydrophilic surface: 202.36
 
 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.