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CHEMBRIDGE-ZINC04010788

 MMsINC code: MMs00758931
Type: Neutral
Formula: C15H14Cl2N2O2
SMILES:   Clc1cc(NC(=O)Nc2ccc(OCC)cc2)ccc1Cl
InChI:   InChI=1/C15H14Cl2N2O2/c1-2-21-12-6-3-10(4-7-12)18-15(20)19-11-5-8-13(16)14(17)9-11/h3-9H,2H2,1H3,(H2,18,19,20)

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Potential Energy
Epot(MMFF94)=66.3008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.195 g/mol  logS: -5.09822  SlogP: 5.0361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234617  Sterimol/B1: 3.08777  Sterimol/B2: 3.31459  Sterimol/B3: 4.35524
  Sterimol/B4: 4.83288  Sterimol/L: 18.8837 
 
 Surface and Volume Properties
  Accessible surface: 562.675  Positive charged surface: 288.369  Negative charged surface: 274.306  Volume: 284.5
  Hydrophobic surface: 472.781  Hydrophilic surface: 89.894
 
 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.