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CHEMBRIDGE-ZINC00357739

 MMsINC code: MMs00609400
Type: Neutral
Formula: C19H15ClN2O2
SMILES:   Clc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChI:   InChI=1/C19H15ClN2O2/c20-14-6-8-15(9-7-14)21-19(23)22-16-10-12-18(13-11-16)24-17-4-2-1-3-5-17/h1-13H,(H2,21,22,23)

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Potential Energy
Epot(MMFF94)=84.807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.794 g/mol  logS: -5.76905  SlogP: 5.7763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319616  Sterimol/B1: 2.57106  Sterimol/B2: 2.99886  Sterimol/B3: 4.04943
  Sterimol/B4: 6.8362  Sterimol/L: 18.5473 
 
 Surface and Volume Properties
  Accessible surface: 598.454  Positive charged surface: 309.863  Negative charged surface: 288.591  Volume: 314.625
  Hydrophobic surface: 538.053  Hydrophilic surface: 60.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.