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IFLAB-ZINC02685289

 MMsINC code: MMs01993170
Type: Neutral
Formula: C19H23NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(OCC)=O)c1cc(ccc1CC)CC
InChI:   InChI=1/C19H23NO4S/c1-4-14-7-8-15(5-2)18(13-14)25(22,23)20-17-11-9-16(10-12-17)19(21)24-6-3/h7-13,20H,4-6H2,1-3H3

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Potential Energy
Epot(MMFF94)=68.8755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.462 g/mol  logS: -5.42049  SlogP: 3.78884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107259  Sterimol/B1: 2.47248  Sterimol/B2: 3.22967  Sterimol/B3: 5.37048
  Sterimol/B4: 9.78629  Sterimol/L: 15.5545 
 
 Surface and Volume Properties
  Accessible surface: 622.427  Positive charged surface: 387.57  Negative charged surface: 234.856  Volume: 343.5
  Hydrophobic surface: 448.044  Hydrophilic surface: 174.383
 
 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.