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PUBCHEM-ZINC05514049

 MMsINC code: MMs03293769
Type: Neutral
Formula: C16H18Cl4O4
SMILES:   Clc1c(C(OCCCC)=O)c(C(OCCCC)=O)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C16H18Cl4O4/c1-3-5-7-23-15(21)9-10(16(22)24-8-6-4-2)12(18)14(20)13(19)11(9)17/h3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=44.2976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.128 g/mol  logS: -7.1739  SlogP: 6.214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0809418  Sterimol/B1: 2.42592  Sterimol/B2: 3.22443  Sterimol/B3: 4.64022
  Sterimol/B4: 11.4013  Sterimol/L: 15.3813 
 
 Surface and Volume Properties
  Accessible surface: 662.67  Positive charged surface: 327.139  Negative charged surface: 335.531  Volume: 345.875
  Hydrophobic surface: 563.951  Hydrophilic surface: 98.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.