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CHEMBRIDGE-ZINC01865921

 MMsINC code: MMs00699293
Type: Neutral
Formula: C18H21ClN2O2
SMILES:   Clc1ccc(NC(=O)Nc2ccc(OCCCCC)cc2)cc1
InChI:   InChI=1/C18H21ClN2O2/c1-2-3-4-13-23-17-11-9-16(10-12-17)21-18(22)20-15-7-5-14(19)6-8-15/h5-12H,2-4,13H2,1H3,(H2,20,21,22)

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Potential Energy
Epot(MMFF94)=62.9253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.831 g/mol  logS: -5.59614  SlogP: 5.553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0178373  Sterimol/B1: 2.55801  Sterimol/B2: 3.86053  Sterimol/B3: 3.943
  Sterimol/B4: 4.38018  Sterimol/L: 22.5723 
 
 Surface and Volume Properties
  Accessible surface: 636.568  Positive charged surface: 381.095  Negative charged surface: 255.473  Volume: 322.25
  Hydrophobic surface: 545.542  Hydrophilic surface: 91.026
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.