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NCID-ZINC01728167

 MMsINC code: MMs02351601
Type: Neutral
Formula: C7H5Cl2NO2
SMILES:   Clc1ccc([N+](=O)[O-])cc1CCl
InChI:   InChI=1/C7H5Cl2NO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.3731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.028 g/mol  logS: -3.64824  SlogP: 3.2534  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0449386  Sterimol/B1: 2.20255  Sterimol/B2: 3.29668  Sterimol/B3: 3.55518
  Sterimol/B4: 5.19189  Sterimol/L: 10.4868 
 
 Surface and Volume Properties
  Accessible surface: 352.309  Positive charged surface: 104.945  Negative charged surface: 247.364  Volume: 159
  Hydrophobic surface: 194.343  Hydrophilic surface: 157.966
 
 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.