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ASINEX-ZINC00375056

 MMsINC code: MMs00126077
Type: Neutral
Formula: C10H9Cl2NO2
SMILES:   ClC1(Cl)CC1Cc1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C10H9Cl2NO2/c11-10(12)6-8(10)5-7-1-3-9(4-2-7)13(14)15/h1-4,8H,5-6H2/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=51.7802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.093 g/mol  logS: -4.2236  SlogP: 3.75097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0876271  Sterimol/B1: 2.52765  Sterimol/B2: 3.05386  Sterimol/B3: 4.74736
  Sterimol/B4: 4.84031  Sterimol/L: 12.3857 
 
 Surface and Volume Properties
  Accessible surface: 424.118  Positive charged surface: 147.363  Negative charged surface: 276.755  Volume: 205.375
  Hydrophobic surface: 204.362  Hydrophilic surface: 219.756
 
 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.