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ENAMINE-ZINC03391158

 MMsINC code: MMs01413589
Type: Neutral
Formula: C20H23NO4S
SMILES:   S(=O)(=O)(N1CCCC1)c1cc(ccc1)C(OCc1cc(cc(c1)C)C)=O
InChI:   InChI=1/C20H23NO4S/c1-15-10-16(2)12-17(11-15)14-25-20(22)18-6-5-7-19(13-18)26(23,24)21-8-3-4-9-21/h5-7,10-13H,3-4,8-9,14H2,1-2H3

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Potential Energy
Epot(MMFF94)=55.1884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.473 g/mol  logS: -4.94829  SlogP: 3.71134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.067325  Sterimol/B1: 2.07953  Sterimol/B2: 3.61869  Sterimol/B3: 4.9492
  Sterimol/B4: 7.3463  Sterimol/L: 18.3004 
 
 Surface and Volume Properties
  Accessible surface: 663.683  Positive charged surface: 409.034  Negative charged surface: 254.649  Volume: 355.75
  Hydrophobic surface: 561.608  Hydrophilic surface: 102.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.