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ACDBLOCKS-ZINC00388223

 MMsINC code: MMs00000204
Type: Neutral
Formula: C6H5Cl3N2
SMILES:   Clc1cc(Cl)cc(Cl)c1NN
InChI:   InChI=1/C6H5Cl3N2/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2,11H,10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.479 g/mol  logS: -3.28856  SlogP: 2.9324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318284  Sterimol/B1: 2.45766  Sterimol/B2: 2.53929  Sterimol/B3: 3.97059
  Sterimol/B4: 5.42119  Sterimol/L: 10.8836 
 
 Surface and Volume Properties
  Accessible surface: 349.6  Positive charged surface: 119.838  Negative charged surface: 229.763  Volume: 157.625
  Hydrophobic surface: 273.771  Hydrophilic surface: 75.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.