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PUBCHEM-ZINC00664946

 MMsINC code: MMs02723174
Type: Neutral
Formula: C19H16Cl4N2O
SMILES:   Clc1cc(Cl)ccc1CC(n1ccnc1)COCc1ccc(Cl)cc1Cl
InChI:   InChI=1/C19H16Cl4N2O/c20-15-3-1-13(18(22)8-15)7-17(25-6-5-24-12-25)11-26-10-14-2-4-16(21)9-19(14)23/h1-6,8-9,12,17H,7,10-11H2/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=58.0569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.162 g/mol  logS: -6.56018  SlogP: 6.85917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113231  Sterimol/B1: 4.08031  Sterimol/B2: 4.67468  Sterimol/B3: 4.961
  Sterimol/B4: 5.03362  Sterimol/L: 18.4543 
 
 Surface and Volume Properties
  Accessible surface: 642.015  Positive charged surface: 271.508  Negative charged surface: 370.508  Volume: 364.125
  Hydrophobic surface: 613.29  Hydrophilic surface: 28.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.