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PUBCHEM-ZINC04557308

 MMsINC code: MMs03133865
Type: Neutral
Formula: C11H10Cl2O3
SMILES:   ClCC(=O)c1cc(cc(C(=O)CCl)c1O)C
InChI:   InChI=1/C11H10Cl2O3/c1-6-2-7(9(14)4-12)11(16)8(3-6)10(15)5-13/h2-3,16H,4-5H2,1H3

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Potential Energy
Epot(MMFF94)=76.0611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.104 g/mol  logS: -3.63723  SlogP: 2.54362  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0297199  Sterimol/B1: 1.969  Sterimol/B2: 2.28578  Sterimol/B3: 2.50045
  Sterimol/B4: 7.42798  Sterimol/L: 14.4236 
 
 Surface and Volume Properties
  Accessible surface: 447.723  Positive charged surface: 206.746  Negative charged surface: 240.976  Volume: 219.25
  Hydrophobic surface: 213.684  Hydrophilic surface: 234.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.