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AURORAFEINCHEMIE-ZINC05428153

 MMsINC code: MMs00475291
Type: Neutral
Formula: C13H24N2O3S
SMILES:   S(CCC(NC(=O)NC1CCCCC1)C(OC)=O)C
InChI:   InChI=1/C13H24N2O3S/c1-18-12(16)11(8-9-19-2)15-13(17)14-10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3,(H2,14,15,17)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=8.42972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.412 g/mol  logS: -2.67729  SlogP: 1.913  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.071404  Sterimol/B1: 2.03464  Sterimol/B2: 3.07435  Sterimol/B3: 3.73529
  Sterimol/B4: 10.5756  Sterimol/L: 14.6838 
 
 Surface and Volume Properties
  Accessible surface: 575.329  Positive charged surface: 425.608  Negative charged surface: 149.721  Volume: 285.625
  Hydrophobic surface: 455.089  Hydrophilic surface: 120.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.