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PUBCHEM-ZINC05675868

 MMsINC code: MMs03344025
Type: Neutral
Formula: C17H11Cl2NO3
SMILES:   Clc1ccc(cc1)-c1onc(c1)COC(=O)c1ccc(Cl)cc1
InChI:   InChI=1/C17H11Cl2NO3/c18-13-5-1-11(2-6-13)16-9-15(20-23-16)10-22-17(21)12-3-7-14(19)8-4-12/h1-9H,10H2

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Potential Energy
Epot(MMFF94)=75.3573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.185 g/mol  logS: -6.19754  SlogP: 5.2718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00264044  Sterimol/B1: 2.37277  Sterimol/B2: 2.37731  Sterimol/B3: 4.44418
  Sterimol/B4: 6.05097  Sterimol/L: 17.5188 
 
 Surface and Volume Properties
  Accessible surface: 574.599  Positive charged surface: 225.677  Negative charged surface: 348.921  Volume: 299.5
  Hydrophobic surface: 504.637  Hydrophilic surface: 69.962
 
 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.