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CHEMBRIDGE-ZINC00475890

 MMsINC code: MMs00629148
Type: Neutral
Formula: C16H16Cl2N2O2
SMILES:   Clc1cc(NC(=O)Nc2ccc(OC(C)C)cc2)ccc1Cl
InChI:   InChI=1/C16H16Cl2N2O2/c1-10(2)22-13-6-3-11(4-7-13)19-16(21)20-12-5-8-14(17)15(18)9-12/h3-10H,1-2H3,(H2,19,20,21)

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Potential Energy
Epot(MMFF94)=73.9043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.222 g/mol  logS: -5.42543  SlogP: 5.4246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513161  Sterimol/B1: 3.32042  Sterimol/B2: 3.72463  Sterimol/B3: 4.33511
  Sterimol/B4: 6.21131  Sterimol/L: 17.6882 
 
 Surface and Volume Properties
  Accessible surface: 577.976  Positive charged surface: 294.052  Negative charged surface: 283.924  Volume: 303.375
  Hydrophobic surface: 473.75  Hydrophilic surface: 104.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.