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NCID-ZINC01736351

 MMsINC code: MMs02357906
Type: Neutral
Formula: C12H27NO2S
SMILES:   S(=O)(=O)(N(CCCC)CCCC)CCCC
InChI:   InChI=1/C12H27NO2S/c1-4-7-10-13(11-8-5-2)16(14,15)12-9-6-3/h4-12H2,1-3H3

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Potential Energy
Epot(MMFF94)=-4.88711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.419 g/mol  logS: -2.60718  SlogP: 3.0185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890735  Sterimol/B1: 2.48986  Sterimol/B2: 2.51463  Sterimol/B3: 4.74848
  Sterimol/B4: 9.2675  Sterimol/L: 15.0692 
 
 Surface and Volume Properties
  Accessible surface: 532.554  Positive charged surface: 388.199  Negative charged surface: 144.355  Volume: 268.5
  Hydrophobic surface: 413.671  Hydrophilic surface: 118.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.