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ASINEX-ZINC00281123

 MMsINC code: MMs00107258
Type: Neutral
Formula: C14H22S2
SMILES:   S(C(C)(C)C)c1ccc(SC(C)(C)C)cc1
InChI:   InChI=1/C14H22S2/c1-13(2,3)15-11-7-9-12(10-8-11)16-14(4,5)6/h7-10H,1-6H3

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Potential Energy
Epot(MMFF94)=120.71 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.462 g/mol  logS: -5.39094  SlogP: 5.4678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0800489  Sterimol/B1: 2.54125  Sterimol/B2: 2.62532  Sterimol/B3: 4.72741
  Sterimol/B4: 5.86902  Sterimol/L: 14.4869 
 
 Surface and Volume Properties
  Accessible surface: 486.952  Positive charged surface: 291.747  Negative charged surface: 195.205  Volume: 265.875
  Hydrophobic surface: 327.987  Hydrophilic surface: 158.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.