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OTAVA-ZINC00465447

 MMsINC code: MMs02555211
Type: Neutral
Formula: C14H15NO2S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C)c1cc(ccc1)C
InChI:   InChI=1/C14H15NO2S/c1-11-6-8-13(9-7-11)15-18(16,17)14-5-3-4-12(2)10-14/h3-10,15H,1-2H3

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Potential Energy
Epot(MMFF94)=37.792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.345 g/mol  logS: -3.99456  SlogP: 3.10424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182603  Sterimol/B1: 2.53463  Sterimol/B2: 3.80049  Sterimol/B3: 3.99803
  Sterimol/B4: 6.65542  Sterimol/L: 13.8753 
 
 Surface and Volume Properties
  Accessible surface: 479.335  Positive charged surface: 266.039  Negative charged surface: 213.297  Volume: 247.25
  Hydrophobic surface: 398.444  Hydrophilic surface: 80.891
 
 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.