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CHEMDIV-ZINC04792235

 MMsINC code: MMs00956478
Type: Neutral
Formula: C8H16O2S2
SMILES:   S(C(C)(C)C)C1CCS(=O)(=O)C1
InChI:   InChI=1/C8H16O2S2/c1-8(2,3)11-7-4-5-12(9,10)6-7/h7H,4-6H2,1-3H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=37.5204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.346 g/mol  logS: -2.02583  SlogP: 1.7052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15657  Sterimol/B1: 2.08437  Sterimol/B2: 3.02697  Sterimol/B3: 4.22712
  Sterimol/B4: 4.55846  Sterimol/L: 11.3015 
 
 Surface and Volume Properties
  Accessible surface: 388.565  Positive charged surface: 218.424  Negative charged surface: 170.141  Volume: 191.875
  Hydrophobic surface: 236.07  Hydrophilic surface: 152.495
 
 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.