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PUBCHEM-ZINC03637894

 MMsINC code: MMs03030263
Type: Neutral
Formula: C11H19NO3S
SMILES:   S1CC(=O)NC1CCCCCC(OCC)=O
InChI:   InChI=1/C11H19NO3S/c1-2-15-11(14)7-5-3-4-6-10-12-9(13)8-16-10/h10H,2-8H2,1H3,(H,12,13)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=8.39505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.343 g/mol  logS: -2.52239  SlogP: 1.6891  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0373108  Sterimol/B1: 2.42876  Sterimol/B2: 3.40836  Sterimol/B3: 3.56546
  Sterimol/B4: 3.77318  Sterimol/L: 18.1765 
 
 Surface and Volume Properties
  Accessible surface: 505.248  Positive charged surface: 357.089  Negative charged surface: 148.159  Volume: 240.5
  Hydrophobic surface: 323.115  Hydrophilic surface: 182.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.