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CHEMBRIDGE-ZINC00454242

 MMsINC code: MMs00619993
Type: Neutral
Formula: C20H18ClNO2
SMILES:   Clc1ccc(OC(C(=O)Nc2c3c(ccc2)cccc3)(C)C)cc1
InChI:   InChI=1/C20H18ClNO2/c1-20(2,24-16-12-10-15(21)11-13-16)19(23)22-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H,22,23)

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Potential Energy
Epot(MMFF94)=147.928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.822 g/mol  logS: -6.69828  SlogP: 5.2893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178141  Sterimol/B1: 3.0341  Sterimol/B2: 3.15586  Sterimol/B3: 5.44588
  Sterimol/B4: 7.96293  Sterimol/L: 14.8324 
 
 Surface and Volume Properties
  Accessible surface: 584.458  Positive charged surface: 278.233  Negative charged surface: 293.731  Volume: 318.75
  Hydrophobic surface: 530.274  Hydrophilic surface: 54.184
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.