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PUBCHEM-ZINC06424972

 MMsINC code: MMs03724573
Type: Neutral
Formula: C16H20N2O3S
SMILES:   S(C=1N(COC(C)C)C(=O)NC(=O)C=1CC)c1ccccc1
InChI:   InChI=1/C16H20N2O3S/c1-4-13-14(19)17-16(20)18(10-21-11(2)3)15(13)22-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)

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Potential Energy
Epot(MMFF94)=26.3633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.413 g/mol  logS: -4.51229  SlogP: 3.3346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.377785  Sterimol/B1: 2.37865  Sterimol/B2: 2.68028  Sterimol/B3: 7.12482
  Sterimol/B4: 8.84762  Sterimol/L: 12.4901 
 
 Surface and Volume Properties
  Accessible surface: 534.454  Positive charged surface: 318.748  Negative charged surface: 215.706  Volume: 302.5
  Hydrophobic surface: 346.98  Hydrophilic surface: 187.474
 
 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.