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PUBCHEM-ZINC03165204

 MMsINC code: MMs03004069
Type: Neutral
Formula: C6H15NO2S
SMILES:   S(=O)(=O)(NCCCCC)C
InChI:   InChI=1/C6H15NO2S/c1-3-4-5-6-7-10(2,8)9/h7H,3-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=-15.3003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.257 g/mol  logS: -0.95842  SlogP: 0.7258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648976  Sterimol/B1: 2.72483  Sterimol/B2: 2.98485  Sterimol/B3: 3.58553
  Sterimol/B4: 3.98221  Sterimol/L: 12.9918 
 
 Surface and Volume Properties
  Accessible surface: 380.716  Positive charged surface: 252.468  Negative charged surface: 128.248  Volume: 160.5
  Hydrophobic surface: 264.022  Hydrophilic surface: 116.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.