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CHEMBLOCK-ZINC00381997

 MMsINC code: MMs00504396
Type: Neutral
Formula: C17H20N2O4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C)c1ccc(cc1)CNC(OCC)=O
InChI:   InChI=1/C17H20N2O4S/c1-3-23-17(20)18-12-14-6-10-16(11-7-14)24(21,22)19-15-8-4-13(2)5-9-15/h4-11,19H,3,12H2,1-2H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=14.2431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.423 g/mol  logS: -4.0708  SlogP: 3.30832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0546321  Sterimol/B1: 2.92002  Sterimol/B2: 4.43289  Sterimol/B3: 4.93419
  Sterimol/B4: 6.1827  Sterimol/L: 18.6972 
 
 Surface and Volume Properties
  Accessible surface: 617.922  Positive charged surface: 385.604  Negative charged surface: 232.318  Volume: 323.25
  Hydrophobic surface: 441.859  Hydrophilic surface: 176.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.