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PUBCHEM-ZINC01845279

MMsINC code: MMs02823707

Type: Neutral
Formula: C13H16Cl3NO4
SMILES:   Clc1cc(Cl)c(Cl)nc1OCC(OCCOCCCC)=O
InChI:   InChI=1/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3

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Potential Energy
Epot(MMFF94)=52.4007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.633 g/mol  logS: -4.59752  SlogP: 3.7805  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0289631  Sterimol/B1: 2.99914  Sterimol/B2: 3.20838  Sterimol/B3: 4.22878
  Sterimol/B4: 7.20933  Sterimol/L: 18.8338 
 
 Surface and Volume Properties
  Accessible surface: 626.209  Positive charged surface: 345.357  Negative charged surface: 280.852  Volume: 299.875
  Hydrophobic surface: 531.571  Hydrophilic surface: 94.638
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.