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PUBCHEM-ZINC00725894

 MMsINC code: MMs02733560
Type: Neutral
Formula: C14H16Cl4N2O2
SMILES:   Clc1ccc(cc1)C(=O)NC(NCC1OCCC1)C(Cl)(Cl)Cl
InChI:   InChI=1/C14H16Cl4N2O2/c15-10-5-3-9(4-6-10)12(21)20-13(14(16,17)18)19-8-11-2-1-7-22-11/h3-6,11,13,19H,1-2,7-8H2,(H,20,21)/t11-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=74.4912 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: 0.113805  Sterimol/B1: 2.46619  Sterimol/B2: 3.36859  Sterimol/B3: 5.22136
  Sterimol/B4: 7.55304  Sterimol/L: 15.8997 
 
 Surface and Volume Properties
  Accessible surface: 598.093  Positive charged surface: 256.84  Negative charged surface: 341.253  Volume: 315.625
  Hydrophobic surface: 399.518  Hydrophilic surface: 198.575
 
 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.