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PUBCHEM-ZINC00671556

 MMsINC code: MMs02724587
Type: Neutral
Formula: C17H24N2O5S
SMILES:   s1c(C(=O)N(CC)CC)c(C)c(C(OC)=O)c1NC(=O)C1OCCC1
InChI:   InChI=1/C17H24N2O5S/c1-5-19(6-2)16(21)13-10(3)12(17(22)23-4)15(25-13)18-14(20)11-8-7-9-24-11/h11H,5-9H2,1-4H3,(H,18,20)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=140.56 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.454 g/mol  logS: -3.63668  SlogP: 2.44262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0491069  Sterimol/B1: 2.50614  Sterimol/B2: 3.96246  Sterimol/B3: 4.1411
  Sterimol/B4: 8.29661  Sterimol/L: 16.7457 
 
 Surface and Volume Properties
  Accessible surface: 627.438  Positive charged surface: 453.937  Negative charged surface: 173.501  Volume: 338.625
  Hydrophobic surface: 488.134  Hydrophilic surface: 139.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.