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ACROSORGANICS-ZINC00155631

 MMsINC code: MMs00005185
Type: Neutral
Formula: C6H3Cl2NO2
SMILES:   Clc1cc([N+](=O)[O-])ccc1Cl
InChI:   InChI=1/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.5283 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: 2.79114e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09898  Sterimol/B3: 2.5709
  Sterimol/B4: 5.7529  Sterimol/L: 10.5077 
 
 Surface and Volume Properties
  Accessible surface: 326.61  Positive charged surface: 76.3698  Negative charged surface: 250.24  Volume: 140.25
  Hydrophobic surface: 243.741  Hydrophilic surface: 82.869
 
 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.