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ENAMINE-ZINC03311681

 MMsINC code: MMs01364314
Type: Neutral
Formula: C14H14Cl4O4
SMILES:   Clc1c(C(OCCC)=O)c(Cl)c(Cl)c(C(OCCC)=O)c1Cl
InChI:   InChI=1/C14H14Cl4O4/c1-3-5-21-13(19)7-9(15)11(17)8(12(18)10(7)16)14(20)22-6-4-2/h3-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=44.1102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.074 g/mol  logS: -6.14346  SlogP: 5.4338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0290774  Sterimol/B1: 3.59206  Sterimol/B2: 3.98031  Sterimol/B3: 4.75767
  Sterimol/B4: 4.75931  Sterimol/L: 19.3717 
 
 Surface and Volume Properties
  Accessible surface: 603.87  Positive charged surface: 278.152  Negative charged surface: 325.719  Volume: 312.125
  Hydrophobic surface: 498.545  Hydrophilic surface: 105.325
 
 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.