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NCID-ZINC01649040

 MMsINC code: MMs02289068
Type: Neutral
Formula: C12H8Cl4N2
SMILES:   Clc1ccc(Cl)cc1NNc1cc(Cl)ccc1Cl
InChI:   InChI=1/C12H8Cl4N2/c13-7-1-3-9(15)11(5-7)17-18-12-6-8(14)2-4-10(12)16/h1-6,17-18H

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Potential Energy
Epot(MMFF94)=73.6873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.022 g/mol  logS: -5.45808  SlogP: 5.7392  Reactive groups: 0
 
 Topological Properties
  Globularity: 6.11283e-07  Sterimol/B1: 2.09743  Sterimol/B2: 2.10202  Sterimol/B3: 4.86162
  Sterimol/B4: 5.21492  Sterimol/L: 14.2049 
 
 Surface and Volume Properties
  Accessible surface: 496.524  Positive charged surface: 134.169  Negative charged surface: 362.356  Volume: 257.875
  Hydrophobic surface: 485.873  Hydrophilic surface: 10.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.