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NCID-ZINC01605859

 MMsINC code: MMs02258001
Type: Neutral
Formula: C12H10Cl4O4
SMILES:   Clc1c(C(OCC)=O)c(Cl)c(Cl)c(C(OCC)=O)c1Cl
InChI:   InChI=1/C12H10Cl4O4/c1-3-19-11(17)5-7(13)9(15)6(10(16)8(5)14)12(18)20-4-2/h3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=44.1593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.02 g/mol  logS: -5.73992  SlogP: 4.6536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444075  Sterimol/B1: 3.02038  Sterimol/B2: 4.52698  Sterimol/B3: 4.75555
  Sterimol/B4: 4.76168  Sterimol/L: 17.1474 
 
 Surface and Volume Properties
  Accessible surface: 547.767  Positive charged surface: 232.669  Negative charged surface: 315.097  Volume: 276.625
  Hydrophobic surface: 439.972  Hydrophilic surface: 107.795
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.