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CHEMBRIDGE-ZINC02595226

 MMsINC code: MMs00712622
Type: Neutral
Formula: C17H18Cl2N2O2
SMILES:   Clc1cc(NC(=O)Nc2ccc(OCCCC)cc2)ccc1Cl
InChI:   InChI=1/C17H18Cl2N2O2/c1-2-3-10-23-14-7-4-12(5-8-14)20-17(22)21-13-6-9-15(18)16(19)11-13/h4-9,11H,2-3,10H2,1H3,(H2,20,21,22)

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Potential Energy
Epot(MMFF94)=66.3155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.249 g/mol  logS: -5.81521  SlogP: 5.8163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0189345  Sterimol/B1: 3.15882  Sterimol/B2: 3.39205  Sterimol/B3: 4.65744
  Sterimol/B4: 4.72604  Sterimol/L: 21.2967 
 
 Surface and Volume Properties
  Accessible surface: 626.455  Positive charged surface: 341.373  Negative charged surface: 285.082  Volume: 319.625
  Hydrophobic surface: 537.267  Hydrophilic surface: 89.188
 
 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.