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NCID-ZINC01703567

 MMsINC code: MMs02332594
Type: Neutral
Formula: C16H24N2O4S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(NC(OC2CCCCCC2)=O)cc1
InChI:   InChI=1/C16H24N2O4S/c1-18(2)23(20,21)15-11-9-13(10-12-15)17-16(19)22-14-7-5-3-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=48.3499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.444 g/mol  logS: -3.56371  SlogP: 3.2082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069324  Sterimol/B1: 2.29215  Sterimol/B2: 4.15597  Sterimol/B3: 4.89131
  Sterimol/B4: 5.42855  Sterimol/L: 17.1737 
 
 Surface and Volume Properties
  Accessible surface: 592.842  Positive charged surface: 418.814  Negative charged surface: 174.028  Volume: 318.125
  Hydrophobic surface: 483.056  Hydrophilic surface: 109.786
 
 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.