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PUBCHEM-ZINC00725899

 MMsINC code: MMs02733565
Type: Neutral
Formula: C14H16Cl4N2O2
SMILES:   Clc1cc(ccc1)C(=O)NC(NCC1OCCC1)C(Cl)(Cl)Cl
InChI:   InChI=1/C14H16Cl4N2O2/c15-10-4-1-3-9(7-10)12(21)20-13(14(16,17)18)19-8-11-5-2-6-22-11/h1,3-4,7,11,13,19H,2,5-6,8H2,(H,20,21)/t11-,13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.106 g/mol  logS: -5.01575  SlogP: 3.9546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127237  Sterimol/B1: 2.37952  Sterimol/B2: 2.82245  Sterimol/B3: 5.74883
  Sterimol/B4: 8.37714  Sterimol/L: 14.1758 
 
 Surface and Volume Properties
  Accessible surface: 593.69  Positive charged surface: 254.743  Negative charged surface: 338.947  Volume: 317
  Hydrophobic surface: 395.528  Hydrophilic surface: 198.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.