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NCID-ZINC01627616

 MMsINC code: MMs02273670
Type: Neutral
Formula: C18H22Cl4O4
SMILES:   Clc1c(C(OCCCCC)=O)c(Cl)c(Cl)c(C(OCCCCC)=O)c1Cl
InChI:   InChI=1/C18H22Cl4O4/c1-3-5-7-9-25-17(23)11-13(19)15(21)12(16(22)14(11)20)18(24)26-10-8-6-4-2/h3-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=44.0487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.182 g/mol  logS: -8.20434  SlogP: 6.9942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0207791  Sterimol/B1: 3.8079  Sterimol/B2: 4.15625  Sterimol/B3: 4.75711
  Sterimol/B4: 4.76161  Sterimol/L: 24.3754 
 
 Surface and Volume Properties
  Accessible surface: 728.854  Positive charged surface: 389.159  Negative charged surface: 339.696  Volume: 385.75
  Hydrophobic surface: 622.081  Hydrophilic surface: 106.773
 
 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.