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ASINEX-ZINC00249555

 MMsINC code: MMs00099266
Type: Neutral
Formula: C16H21NO2S2
SMILES:   s1cccc1S(=O)(=O)Nc1c(cccc1C(C)C)C(C)C
InChI:   InChI=1/C16H21NO2S2/c1-11(2)13-7-5-8-14(12(3)4)16(13)17-21(18,19)15-9-6-10-20-15/h5-12,17H,1-4H3

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Potential Energy
Epot(MMFF94)=74.8891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.481 g/mol  logS: -5.39355  SlogP: 4.7957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238202  Sterimol/B1: 3.55774  Sterimol/B2: 3.7585  Sterimol/B3: 4.59119
  Sterimol/B4: 5.83516  Sterimol/L: 12.5075 
 
 Surface and Volume Properties
  Accessible surface: 501.542  Positive charged surface: 286.476  Negative charged surface: 215.066  Volume: 304.5
  Hydrophobic surface: 373.711  Hydrophilic surface: 127.831
 
 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.