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ACROSORGANICS-ZINC01690400

 MMsINC code: MMs00011061
Type: Neutral
Formula: C6H3Cl2NO2
SMILES:   Clc1c([N+](=O)[O-])cccc1Cl
InChI:   InChI=1/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.4204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.001 g/mol  logS: -3.64369  SlogP: 2.9016  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.91774e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09895  Sterimol/B3: 2.43888
  Sterimol/B4: 6.02275  Sterimol/L: 9.26391 
 
 Surface and Volume Properties
  Accessible surface: 319.779  Positive charged surface: 83.6241  Negative charged surface: 236.155  Volume: 140.375
  Hydrophobic surface: 246.734  Hydrophilic surface: 73.045
 
 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.