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ENAMINE-ZINC03065545

 MMsINC code: MMs01289377
Type: Neutral
Formula: C12H5Cl4NO3
SMILES:   Clc1cc(Cl)c(Cl)cc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChI:   InChI=1/C12H5Cl4NO3/c13-6-1-2-11(10(3-6)17(18)19)20-12-5-8(15)7(14)4-9(12)16/h1-5H

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Potential Energy
Epot(MMFF94)=71.9151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.988 g/mol  logS: -6.89498  SlogP: 6.0007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142403  Sterimol/B1: 2.75888  Sterimol/B2: 4.58223  Sterimol/B3: 4.66572
  Sterimol/B4: 6.77716  Sterimol/L: 13.9588 
 
 Surface and Volume Properties
  Accessible surface: 498.035  Positive charged surface: 110.939  Negative charged surface: 387.096  Volume: 257.5
  Hydrophobic surface: 422.323  Hydrophilic surface: 75.712
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.