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PUBCHEM-ZINC00310492

 MMsINC code: MMs02652505
Type: Neutral
Formula: C16H19NO2S
SMILES:   S(=O)(=O)(NCc1ccccc1)c1cc(C)c(cc1C)C
InChI:   InChI=1/C16H19NO2S/c1-12-9-14(3)16(10-13(12)2)20(18,19)17-11-15-7-5-4-6-8-15/h4-10,17H,11H2,1-3H3

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Potential Energy
Epot(MMFF94)=39.6514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.399 g/mol  logS: -4.09907  SlogP: 3.35676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128045  Sterimol/B1: 2.26889  Sterimol/B2: 3.60275  Sterimol/B3: 5.18698
  Sterimol/B4: 6.29945  Sterimol/L: 15.346 
 
 Surface and Volume Properties
  Accessible surface: 525.584  Positive charged surface: 285.318  Negative charged surface: 240.266  Volume: 282.5
  Hydrophobic surface: 451.497  Hydrophilic surface: 74.087
 
 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.