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ENAMINE-ZINC03490538

 MMsINC code: MMs01471075
Type: Neutral
Formula: C17H19NO4S
SMILES:   S(=O)(=O)(NC)c1cc(ccc1)C(OCc1cc(cc(c1)C)C)=O
InChI:   InChI=1/C17H19NO4S/c1-12-7-13(2)9-14(8-12)11-22-17(19)15-5-4-6-16(10-15)23(20,21)18-3/h4-10,18H,11H2,1-3H3

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Potential Energy
Epot(MMFF94)=38.8329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.408 g/mol  logS: -4.32033  SlogP: 2.83494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778371  Sterimol/B1: 2.11798  Sterimol/B2: 3.31179  Sterimol/B3: 5.08259
  Sterimol/B4: 6.83951  Sterimol/L: 16.7415 
 
 Surface and Volume Properties
  Accessible surface: 605.571  Positive charged surface: 363.565  Negative charged surface: 242.006  Volume: 312.5
  Hydrophobic surface: 471.668  Hydrophilic surface: 133.903
 
 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.