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NCID-ZINC01660337

 MMsINC code: MMs02297755
Type: Neutral
Formula: C17H12Cl2FNO3
SMILES:   Clc1cc(Cl)c(F)cc1-c1onc(c1)-c1cc(OC)c(OC)cc1
InChI:   InChI=1/C17H12Cl2FNO3/c1-22-15-4-3-9(5-17(15)23-2)14-8-16(24-21-14)10-6-13(20)12(19)7-11(10)18/h3-8H,1-2H3

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Potential Energy
Epot(MMFF94)=100.423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.191 g/mol  logS: -6.68591  SlogP: 5.4717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0244677  Sterimol/B1: 2.04196  Sterimol/B2: 2.7056  Sterimol/B3: 4.16817
  Sterimol/B4: 7.53197  Sterimol/L: 18.2714 
 
 Surface and Volume Properties
  Accessible surface: 582.471  Positive charged surface: 298.505  Negative charged surface: 283.966  Volume: 303.75
  Hydrophobic surface: 535.904  Hydrophilic surface: 46.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.