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CHEMBRIDGE-ZINC01770705

 MMsINC code: MMs00695967
Type: Neutral
Formula: C13H18ClNO4
SMILES:   Clc1cc(OC)c(NC(OCCCC)=O)cc1OC
InChI:   InChI=1/C13H18ClNO4/c1-4-5-6-19-13(16)15-10-8-11(17-2)9(14)7-12(10)18-3/h7-8H,4-6H2,1-3H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=54.9999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.743 g/mol  logS: -3.54304  SlogP: 3.7058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0225923  Sterimol/B1: 2.772  Sterimol/B2: 2.89005  Sterimol/B3: 5.49728
  Sterimol/B4: 6.68696  Sterimol/L: 17.0295 
 
 Surface and Volume Properties
  Accessible surface: 550.904  Positive charged surface: 401.76  Negative charged surface: 149.144  Volume: 268.25
  Hydrophobic surface: 464.744  Hydrophilic surface: 86.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.