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PUBCHEM-ZINC05821771

 MMsINC code: MMs03400809
Type: Neutral
Formula: C10H23NO3S2
SMILES:   S(S(O)(=O)=O)CCNCC(CCCC)CC
InChI:   InChI=1/C10H23NO3S2/c1-3-5-6-10(4-2)9-11-7-8-15-16(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=7.21784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.43 g/mol  logS: -3.27346  SlogP: 1.7627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554647  Sterimol/B1: 2.68212  Sterimol/B2: 2.963  Sterimol/B3: 3.66801
  Sterimol/B4: 5.99874  Sterimol/L: 16.7839 
 
 Surface and Volume Properties
  Accessible surface: 519.649  Positive charged surface: 335.438  Negative charged surface: 184.211  Volume: 255.875
  Hydrophobic surface: 308.02  Hydrophilic surface: 211.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.