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CHEMBRIDGE-ZINC04757469

 MMsINC code: MMs00785687
Type: Neutral
Formula: C16H11ClFN3O2
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1ncccc1
InChI:   InChI=1/C16H11ClFN3O2/c1-9-13(16(22)20-12-7-2-3-8-19-12)15(21-23-9)14-10(17)5-4-6-11(14)18/h2-8H,1H3,(H,19,20,22)

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Potential Energy
Epot(MMFF94)=69.8447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.734 g/mol  logS: -4.79218  SlogP: 4.08982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171432  Sterimol/B1: 2.36717  Sterimol/B2: 3.5131  Sterimol/B3: 4.37425
  Sterimol/B4: 9.84749  Sterimol/L: 12.9917 
 
 Surface and Volume Properties
  Accessible surface: 539.909  Positive charged surface: 265.414  Negative charged surface: 274.495  Volume: 282.5
  Hydrophobic surface: 480.585  Hydrophilic surface: 59.324
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.