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CHEMBRIDGE-ZINC02838876

 MMsINC code: MMs00723681
Type: Neutral
Formula: C16H17ClN2O2
SMILES:   Clc1ccccc1NC(=O)Nc1ccc(OCCC)cc1
InChI:   InChI=1/C16H17ClN2O2/c1-2-11-21-13-9-7-12(8-10-13)18-16(20)19-15-6-4-3-5-14(15)17/h3-10H,2,11H2,1H3,(H2,18,19,20)

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Potential Energy
Epot(MMFF94)=67.8712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.777 g/mol  logS: -4.5657  SlogP: 4.7728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229625  Sterimol/B1: 2.55614  Sterimol/B2: 3.7353  Sterimol/B3: 4.0674
  Sterimol/B4: 4.61912  Sterimol/L: 19.2449 
 
 Surface and Volume Properties
  Accessible surface: 570.502  Positive charged surface: 327.374  Negative charged surface: 243.128  Volume: 286.625
  Hydrophobic surface: 489.317  Hydrophilic surface: 81.185
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.