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PUBCHEM-ZINC02141132

 MMsINC code: MMs02876027
Type: Neutral
Formula: C13H14Cl3NO4
SMILES:   ClC(Cl)(Cl)C(OC(=O)c1ccccc1)NC(OC(C)C)=O
InChI:   InChI=1/C13H14Cl3NO4/c1-8(2)20-12(19)17-11(13(14,15)16)21-10(18)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,17,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=47.2973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.617 g/mol  logS: -4.95891  SlogP: 4.0942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0657105  Sterimol/B1: 2.50578  Sterimol/B2: 3.38184  Sterimol/B3: 3.42289
  Sterimol/B4: 8.88298  Sterimol/L: 14.5261 
 
 Surface and Volume Properties
  Accessible surface: 562.614  Positive charged surface: 243.012  Negative charged surface: 319.602  Volume: 291.125
  Hydrophobic surface: 303.97  Hydrophilic surface: 258.644
 
 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.