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CHEMBRIDGE-ZINC00950504

 MMsINC code: MMs00647588
Type: Neutral
Formula: C19H21NO5S
SMILES:   s1c(C(OC(C)C)=O)c(C)c(C(OCC)=O)c1NC(=O)c1ccccc1
InChI:   InChI=1/C19H21NO5S/c1-5-24-18(22)14-12(4)15(19(23)25-11(2)3)26-17(14)20-16(21)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=90.2634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.445 g/mol  logS: -5.37836  SlogP: 4.05072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451909  Sterimol/B1: 2.27458  Sterimol/B2: 2.51345  Sterimol/B3: 4.86687
  Sterimol/B4: 11.3944  Sterimol/L: 17.1992 
 
 Surface and Volume Properties
  Accessible surface: 671.178  Positive charged surface: 389.967  Negative charged surface: 281.211  Volume: 347.875
  Hydrophobic surface: 519.245  Hydrophilic surface: 151.933
 
 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.