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ALFAAESAR-ZINC00152558

 MMsINC code: MMs00019870
Type: Neutral
Formula: C6H3Cl4N
SMILES:   Clc1c(N)c(Cl)c(Cl)cc1Cl
InChI:   InChI=1/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.2009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.909 g/mol  logS: -4.04292  SlogP: 3.8824  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.59619e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09847  Sterimol/B3: 4.75086
  Sterimol/B4: 4.75216  Sterimol/L: 8.67833 
 
 Surface and Volume Properties
  Accessible surface: 345.948  Positive charged surface: 84.6891  Negative charged surface: 261.259  Volume: 162
  Hydrophobic surface: 300.079  Hydrophilic surface: 45.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.