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MDPI-ZINC03847629

 MMsINC code: MMs02181144
Type: Neutral
Formula: C8H2Cl4O3
SMILES:   Clc1c(Cl)c(Cl)c2c(c1Cl)C(OC2=O)O
InChI:   InChI=1/C8H2Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11/h7,13H/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=21.9579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.913 g/mol  logS: -4.50436  SlogP: 3.557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0422799  Sterimol/B1: 2.51833  Sterimol/B2: 2.78988  Sterimol/B3: 4.72337
  Sterimol/B4: 5.2576  Sterimol/L: 10.83 
 
 Surface and Volume Properties
  Accessible surface: 391.687  Positive charged surface: 110.692  Negative charged surface: 280.995  Volume: 190.25
  Hydrophobic surface: 275.277  Hydrophilic surface: 116.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.