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ENAMINE-ZINC01884589

 MMsINC code: MMs01245256
Type: Neutral
Formula: C14H6Cl4N2O4
SMILES:   Clc1ccc(cc1[N+](=O)[O-])C(=C(Cl)Cl)c1cc([N+](=O)[O-])c(Cl)cc
1
InChI:   InChI=1/C14H6Cl4N2O4/c15-9-3-1-7(5-11(9)19(21)22)13(14(17)18)8-2-4-10(16)12(6-8)20(23)24/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.024 g/mol  logS: -8.34286  SlogP: 5.93049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169696  Sterimol/B1: 2.67218  Sterimol/B2: 3.50996  Sterimol/B3: 5.61171
  Sterimol/B4: 5.78412  Sterimol/L: 15.0247 
 
 Surface and Volume Properties
  Accessible surface: 544.216  Positive charged surface: 124.697  Negative charged surface: 419.518  Volume: 296.875
  Hydrophobic surface: 393.711  Hydrophilic surface: 150.505
 
 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.