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ENAMINE-ZINC03323082

 MMsINC code: MMs01371314
Type: Neutral
Formula: C15H9Cl2FN2O
SMILES:   Clc1cc(Cl)cc2c1ncnc2OCc1ccccc1F
InChI:   InChI=1/C15H9Cl2FN2O/c16-10-5-11-14(12(17)6-10)19-8-20-15(11)21-7-9-3-1-2-4-13(9)18/h1-6,8H,7H2

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Potential Energy
Epot(MMFF94)=46.6512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.154 g/mol  logS: -6.02752  SlogP: 4.9211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00420873  Sterimol/B1: 2.37315  Sterimol/B2: 2.37695  Sterimol/B3: 4.15009
  Sterimol/B4: 6.99838  Sterimol/L: 15.6559 
 
 Surface and Volume Properties
  Accessible surface: 515.397  Positive charged surface: 219.229  Negative charged surface: 290.632  Volume: 270.5
  Hydrophobic surface: 447.176  Hydrophilic surface: 68.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.