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PUBCHEM-ZINC05568296

 MMsINC code: MMs03309213
Type: Neutral
Formula: C13H6Cl4N2O3
SMILES:   Clc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChI:   InChI=1/C13H6Cl4N2O3/c14-8-2-1-6(19(21)22)3-7(8)13(20)18-12-5-10(16)9(15)4-11(12)17/h1-5H,(H,18,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.014 g/mol  logS: -7.08226  SlogP: 5.4607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0163917  Sterimol/B1: 2.77432  Sterimol/B2: 3.07284  Sterimol/B3: 4.89844
  Sterimol/B4: 5.31948  Sterimol/L: 15.8388 
 
 Surface and Volume Properties
  Accessible surface: 534.318  Positive charged surface: 132.305  Negative charged surface: 402.013  Volume: 277.75
  Hydrophobic surface: 427.178  Hydrophilic surface: 107.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.