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PUBCHEM-ZINC06096719

 MMsINC code: MMs03542818
Type: Neutral
Formula: C6H5Cl2N
SMILES:   ClN(Cl)c1ccccc1
InChI:   InChI=1/C6H5Cl2N/c7-9(8)6-4-2-1-3-5-6/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.5925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.019 g/mol  logS: -2.64818  SlogP: 2.8006  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.09318e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09871  Sterimol/B3: 3.62331
  Sterimol/B4: 3.62414  Sterimol/L: 9.62832 
 
 Surface and Volume Properties
  Accessible surface: 314.423  Positive charged surface: 93.7224  Negative charged surface: 220.701  Volume: 133.625
  Hydrophobic surface: 314.423  Hydrophilic surface: 0
 
 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.