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ENAMINE-ZINC03327240

 MMsINC code: MMs01374164
Type: Neutral
Formula: C10H14O2S
SMILES:   S(O)(=O)c1c(C)c(cc(C)c1C)C
InChI:   InChI=1/C10H14O2S/c1-6-5-7(2)9(4)10(8(6)3)13(11)12/h5H,1-4H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=75.2897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.286 g/mol  logS: -2.85321  SlogP: 1.93518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0771728  Sterimol/B1: 2.31899  Sterimol/B2: 2.67086  Sterimol/B3: 3.14544
  Sterimol/B4: 7.39614  Sterimol/L: 9.72554 
 
 Surface and Volume Properties
  Accessible surface: 381.274  Positive charged surface: 229.83  Negative charged surface: 151.444  Volume: 190.75
  Hydrophobic surface: 294.34  Hydrophilic surface: 86.934
 
 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


MMs01374165
ENAMINE-ZINC03327240