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NCID-ZINC01627293

 MMsINC code: MMs02273528
Type: Neutral
Formula: C16H18Cl4O4
SMILES:   Clc1c(C(OCCCC)=O)c(Cl)c(Cl)c(C(OCCCC)=O)c1Cl
InChI:   InChI=1/C16H18Cl4O4/c1-3-5-7-23-15(21)9-11(17)13(19)10(14(20)12(9)18)16(22)24-8-6-4-2/h3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=44.0483 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: 0.0286549  Sterimol/B1: 3.18352  Sterimol/B2: 4.75481  Sterimol/B3: 4.76565
  Sterimol/B4: 4.78149  Sterimol/L: 22.0694 
 
 Surface and Volume Properties
  Accessible surface: 668.442  Positive charged surface: 334.143  Negative charged surface: 334.299  Volume: 349.75
  Hydrophobic surface: 563.475  Hydrophilic surface: 104.967
 
 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.