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CHEMBRIDGE-ZINC00383557

 MMsINC code: MMs00611767
Type: Neutral
Formula: C11H14ClNO2
SMILES:   Clc1cc(NC(=O)CCC)c(OC)cc1
InChI:   InChI=1/C11H14ClNO2/c1-3-4-11(14)13-9-7-8(12)5-6-10(9)15-2/h5-7H,3-4H2,1-2H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=48.5855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.691 g/mol  logS: -3.09599  SlogP: 3.0872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301473  Sterimol/B1: 2.71362  Sterimol/B2: 2.96797  Sterimol/B3: 4.5745
  Sterimol/B4: 6.58864  Sterimol/L: 13.2618 
 
 Surface and Volume Properties
  Accessible surface: 452.664  Positive charged surface: 290.347  Negative charged surface: 162.317  Volume: 215.625
  Hydrophobic surface: 383.532  Hydrophilic surface: 69.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.