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PUBCHEM-ZINC02141113

 MMsINC code: MMs02876015
Type: Neutral
Formula: C13H14Cl3NO4
SMILES:   ClC(Cl)(Cl)C(OC(=O)c1ccccc1)NC(OCCC)=O
InChI:   InChI=1/C13H14Cl3NO4/c1-2-8-20-12(19)17-11(13(14,15)16)21-10(18)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,17,19)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=40.9613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.617 g/mol  logS: -4.83347  SlogP: 4.0958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0548059  Sterimol/B1: 3.20517  Sterimol/B2: 3.42054  Sterimol/B3: 3.61362
  Sterimol/B4: 8.53852  Sterimol/L: 15.3064 
 
 Surface and Volume Properties
  Accessible surface: 574.619  Positive charged surface: 264.167  Negative charged surface: 310.452  Volume: 290.75
  Hydrophobic surface: 331.331  Hydrophilic surface: 243.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.