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PUBCHEM-ZINC06020618

 MMsINC code: MMs03495721
Type: Neutral
Formula: C11H25NO3S2
SMILES:   S(S(O)(=O)=O)CCNCCC(CC(C)(C)C)C
InChI:   InChI=1/C11H25NO3S2/c1-10(9-11(2,3)4)5-6-12-7-8-16-17(13,14)15/h10,12H,5-9H2,1-4H3,(H,13,14,15)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=39.6307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.457 g/mol  logS: -4.10213  SlogP: 2.0087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060991  Sterimol/B1: 1.98786  Sterimol/B2: 3.08723  Sterimol/B3: 3.46948
  Sterimol/B4: 5.62541  Sterimol/L: 16.8432 
 
 Surface and Volume Properties
  Accessible surface: 528.334  Positive charged surface: 328.479  Negative charged surface: 199.855  Volume: 267.875
  Hydrophobic surface: 285.359  Hydrophilic surface: 242.975
 
 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.