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CHEMBRIDGE-ZINC01149892

 MMsINC code: MMs00672231
Type: Neutral
Formula: C17H15Cl2NO4
SMILES:   Clc1cc(Cl)ccc1OC(C(OCC(=O)Nc1ccccc1)=O)C
InChI:   InChI=1/C17H15Cl2NO4/c1-11(24-15-8-7-12(18)9-14(15)19)17(22)23-10-16(21)20-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=93.3643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.216 g/mol  logS: -5.63565  SlogP: 3.9426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0335612  Sterimol/B1: 2.43679  Sterimol/B2: 3.09536  Sterimol/B3: 5.26544
  Sterimol/B4: 5.77464  Sterimol/L: 20.1639 
 
 Surface and Volume Properties
  Accessible surface: 627.62  Positive charged surface: 297.778  Negative charged surface: 329.841  Volume: 319.125
  Hydrophobic surface: 523.367  Hydrophilic surface: 104.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.