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PUBCHEM-ZINC00592419

 MMsINC code: MMs02711158
Type: Neutral
Formula: C17H14Cl2F2N2O3
SMILES:   Clc1cncc(Cl)c1NC(=O)c1cc(OCC2CC2)c(OC(F)F)cc1
InChI:   InChI=1/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)

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Potential Energy
Epot(MMFF94)=128.655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.212 g/mol  logS: -4.37865  SlogP: 5.4508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685736  Sterimol/B1: 4.24837  Sterimol/B2: 4.72901  Sterimol/B3: 4.77261
  Sterimol/B4: 7.43716  Sterimol/L: 15.8917 
 
 Surface and Volume Properties
  Accessible surface: 623.921  Positive charged surface: 312.991  Negative charged surface: 310.929  Volume: 327.375
  Hydrophobic surface: 441.046  Hydrophilic surface: 182.875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.