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PUBCHEM-ZINC05550533

 MMsINC code: MMs03304473
Type: Neutral
Formula: C10H21NO2S
SMILES:   S(CCC(N)C(OCCCCC)=O)C
InChI:   InChI=1/C10H21NO2S/c1-3-4-5-7-13-10(12)9(11)6-8-14-2/h9H,3-8,11H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=27.234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.349 g/mol  logS: -2.44314  SlogP: 1.8002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306324  Sterimol/B1: 2.91015  Sterimol/B2: 3.12122  Sterimol/B3: 3.33746
  Sterimol/B4: 5.10916  Sterimol/L: 17.1431 
 
 Surface and Volume Properties
  Accessible surface: 507.456  Positive charged surface: 364.747  Negative charged surface: 142.709  Volume: 232.75
  Hydrophobic surface: 360.389  Hydrophilic surface: 147.067
 
 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.