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PUBCHEM-ZINC05167421

 MMsINC code: MMs03219645
Type: Neutral
Formula: C13H23NO4S
SMILES:   S(CC(NC(=O)C)C(OC)=O)C1CCCCC1OC
InChI:   InChI=1/C13H23NO4S/c1-9(15)14-10(13(16)18-3)8-19-12-7-5-4-6-11(12)17-2/h10-12H,4-8H2,1-3H3,(H,14,15)/t10-,11+,12+/m0/s1

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Potential Energy
Epot(MMFF94)=66.6144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.396 g/mol  logS: -2.26908  SlogP: 1.3549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201371  Sterimol/B1: 1.98828  Sterimol/B2: 3.79446  Sterimol/B3: 6.17899
  Sterimol/B4: 8.26509  Sterimol/L: 14.1161 
 
 Surface and Volume Properties
  Accessible surface: 543.933  Positive charged surface: 430.435  Negative charged surface: 113.499  Volume: 278.875
  Hydrophobic surface: 453.102  Hydrophilic surface: 90.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.