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PUBCHEM-ZINC02191121

 MMsINC code: MMs02883702
Type: Neutral
Formula: C16H24N2O5S
SMILES:   S(=O)(=O)(NCCCCCC)c1ccc(NC(=O)C(OCC)=O)cc1
InChI:   InChI=1/C16H24N2O5S/c1-3-5-6-7-12-17-24(21,22)14-10-8-13(9-11-14)18-15(19)16(20)23-4-2/h8-11,17H,3-7,12H2,1-2H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=39.8978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.443 g/mol  logS: -4.23497  SlogP: 2.0468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350397  Sterimol/B1: 2.51976  Sterimol/B2: 2.96448  Sterimol/B3: 4.32544
  Sterimol/B4: 10.0369  Sterimol/L: 19.1696 
 
 Surface and Volume Properties
  Accessible surface: 660.322  Positive charged surface: 429.63  Negative charged surface: 230.692  Volume: 332.625
  Hydrophobic surface: 435.147  Hydrophilic surface: 225.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.