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NCID-ZINC01732468

 MMsINC code: MMs02355205
Type: Neutral
Formula: C10H21NO2S
SMILES:   S(=O)(=O)(N1CC(CCC1)C)CCCC
InChI:   InChI=1/C10H21NO2S/c1-3-4-8-14(12,13)11-7-5-6-10(2)9-11/h10H,3-9H2,1-2H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=-0.034464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.349 g/mol  logS: -1.4747  SlogP: 1.8482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125222  Sterimol/B1: 2.94969  Sterimol/B2: 3.8645  Sterimol/B3: 4.61734
  Sterimol/B4: 4.706  Sterimol/L: 13.0841 
 
 Surface and Volume Properties
  Accessible surface: 441.584  Positive charged surface: 319.078  Negative charged surface: 122.506  Volume: 219.125
  Hydrophobic surface: 341.559  Hydrophilic surface: 100.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.