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AURORAFEINCHEMIE-ZINC04071807

 MMsINC code: MMs00465574
Type: Neutral
Formula: C8H6Cl4O6
SMILES:   ClC(Cl)=COC(C(OC=C(Cl)Cl)C(O)=O)C(O)=O
InChI:   InChI=1/C8H6Cl4O6/c9-3(10)1-17-5(7(13)14)6(8(15)16)18-2-4(11)12/h1-2,5-6H,(H,13,14)(H,15,16)/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=44.9557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.942 g/mol  logS: -3.47322  SlogP: 2.6968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284427  Sterimol/B1: 3.74257  Sterimol/B2: 4.50803  Sterimol/B3: 4.55318
  Sterimol/B4: 4.8973  Sterimol/L: 14.6722 
 
 Surface and Volume Properties
  Accessible surface: 500.958  Positive charged surface: 140.334  Negative charged surface: 360.625  Volume: 237.5
  Hydrophobic surface: 324.576  Hydrophilic surface: 176.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00465575
AURORAFEINCHEMIE-ZINC04071807