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ENAMINE-ZINC03182859

 MMsINC code: MMs01298300
Type: Neutral
Formula: C15H9Cl3F3NO2
SMILES:   Clc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C15H9Cl3F3NO2/c16-9-5-11(17)14(12(18)6-9)24-7-13(23)22-10-3-1-2-8(4-10)15(19,20)21/h1-6H,7H2,(H,22,23)

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Potential Energy
Epot(MMFF94)=89.1057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.595 g/mol  logS: -6.69111  SlogP: 5.9946  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414445  Sterimol/B1: 2.711  Sterimol/B2: 3.2073  Sterimol/B3: 4.48991
  Sterimol/B4: 6.07653  Sterimol/L: 17.6118 
 
 Surface and Volume Properties
  Accessible surface: 577.195  Positive charged surface: 176.051  Negative charged surface: 401.143  Volume: 297.875
  Hydrophobic surface: 428.273  Hydrophilic surface: 148.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.