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ENAMINE-ZINC05576310

 MMsINC code: MMs01624337
Type: Neutral
Formula: C15H21NO4S
SMILES:   S(=O)(=O)(N(C)C)c1cc(ccc1)C(OC1CCCCC1)=O
InChI:   InChI=1/C15H21NO4S/c1-16(2)21(18,19)14-10-6-7-12(11-14)15(17)20-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3

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Potential Energy
Epot(MMFF94)=35.0587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.402 g/mol  logS: -3.15131  SlogP: 2.4264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0523156  Sterimol/B1: 2.09941  Sterimol/B2: 3.27748  Sterimol/B3: 4.09745
  Sterimol/B4: 7.33732  Sterimol/L: 16.6049 
 
 Surface and Volume Properties
  Accessible surface: 553.495  Positive charged surface: 386.377  Negative charged surface: 167.118  Volume: 290.875
  Hydrophobic surface: 468.022  Hydrophilic surface: 85.473
 
 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.