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PUBCHEM-ZINC06123168

 MMsINC code: MMs03549234
Type: Neutral
Formula: C15H23NO3S
SMILES:   s1c(C)c(CC)c(C(OC)=O)c1NC(=O)C(CC)CC
InChI:   InChI=1/C15H23NO3S/c1-6-10(7-2)13(17)16-14-12(15(18)19-5)11(8-3)9(4)20-14/h10H,6-8H2,1-5H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=57.7972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.419 g/mol  logS: -4.36413  SlogP: 3.78019  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120177  Sterimol/B1: 2.77126  Sterimol/B2: 5.38968  Sterimol/B3: 5.46435
  Sterimol/B4: 5.6929  Sterimol/L: 14.6005 
 
 Surface and Volume Properties
  Accessible surface: 562.581  Positive charged surface: 382.726  Negative charged surface: 179.854  Volume: 295.875
  Hydrophobic surface: 445.495  Hydrophilic surface: 117.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.