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IBS-ZINC02271454

 MMsINC code: MMs01820278
Type: Neutral
Formula: C14H20Cl2O4
SMILES:   ClC(Cl)=C1CCCCC1C(C(OCC)=O)C(OCC)=O
InChI:   InChI=1/C14H20Cl2O4/c1-3-19-13(17)11(14(18)20-4-2)9-7-5-6-8-10(9)12(15)16/h9,11H,3-8H2,1-2H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=116.697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.216 g/mol  logS: -4.31816  SlogP: 3.7171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15227  Sterimol/B1: 4.07753  Sterimol/B2: 4.10073  Sterimol/B3: 4.56051
  Sterimol/B4: 5.44577  Sterimol/L: 13.5905 
 
 Surface and Volume Properties
  Accessible surface: 513.264  Positive charged surface: 318.25  Negative charged surface: 195.014  Volume: 284.25
  Hydrophobic surface: 421.395  Hydrophilic surface: 91.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.