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PUBCHEM-ZINC03149903

MMsINC code: MMs03001594

Type: Neutral
Formula: C15H10Cl3FN2O2
SMILES:   Clc1cc(Cl)c(Cl)cc1OCC(=O)N\N=C\c1ccc(F)cc1
InChI:   InChI=1/C15H10Cl3FN2O2/c16-11-5-13(18)14(6-12(11)17)23-8-15(22)21-20-7-9-1-3-10(19)4-2-9/h1-7H,8H2,(H,21,22)/b20-7+

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Potential Energy
Epot(MMFF94)=92.9792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.614 g/mol  logS: -6.11282  SlogP: 4.315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00194356  Sterimol/B1: 2.37238  Sterimol/B2: 2.37671  Sterimol/B3: 3.63537
  Sterimol/B4: 6.43977  Sterimol/L: 20.1615 
 
 Surface and Volume Properties
  Accessible surface: 590.287  Positive charged surface: 233.56  Negative charged surface: 356.728  Volume: 302.75
  Hydrophobic surface: 504.714  Hydrophilic surface: 85.573
 
 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.