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PUBCHEM-ZINC05781227

 MMsINC code: MMs03383411
Type: Neutral
Formula: C7H5Cl2NO2
SMILES:   Clc1c([N+](=O)[O-])c(Cl)ccc1C
InChI:   InChI=1/C7H5Cl2NO2/c1-4-2-3-5(8)7(6(4)9)10(11)12/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.7721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.028 g/mol  logS: -3.80416  SlogP: 3.21002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525988  Sterimol/B1: 2.86399  Sterimol/B2: 2.8653  Sterimol/B3: 3.95951
  Sterimol/B4: 5.12354  Sterimol/L: 9.70356 
 
 Surface and Volume Properties
  Accessible surface: 348.372  Positive charged surface: 101.602  Negative charged surface: 246.769  Volume: 157.875
  Hydrophobic surface: 274.91  Hydrophilic surface: 73.462
 
 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.