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ASINEX-ZINC00281925

 MMsINC code: MMs00107503
Type: Neutral
Formula: C10H9Cl2NO2
SMILES:   ClC1(Cl)CC1Cc1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C10H9Cl2NO2/c11-10(12)6-8(10)5-7-3-1-2-4-9(7)13(14)15/h1-4,8H,5-6H2/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=66.0344 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: 0.123347  Sterimol/B1: 2.83176  Sterimol/B2: 3.10695  Sterimol/B3: 4.43442
  Sterimol/B4: 6.62307  Sterimol/L: 10.9474 
 
 Surface and Volume Properties
  Accessible surface: 409.841  Positive charged surface: 145.743  Negative charged surface: 264.098  Volume: 203.875
  Hydrophobic surface: 213.564  Hydrophilic surface: 196.277
 
 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.