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ASINEX-ZINC00369295

 MMsINC code: MMs00125337
Type: Neutral
Formula: C9H7Cl2NO2
SMILES:   ClC1(Cl)CC1c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C9H7Cl2NO2/c10-9(11)5-8(9)6-1-3-7(4-2-6)12(13)14/h1-4,8H,5H2/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=60.4874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.066 g/mol  logS: -4.02183  SlogP: 3.6759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0702826  Sterimol/B1: 2.49649  Sterimol/B2: 2.78898  Sterimol/B3: 3.86885
  Sterimol/B4: 5.08714  Sterimol/L: 12.658 
 
 Surface and Volume Properties
  Accessible surface: 391.87  Positive charged surface: 113.885  Negative charged surface: 277.985  Volume: 186.75
  Hydrophobic surface: 171.703  Hydrophilic surface: 220.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.