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PUBCHEM-ZINC04668717

 MMsINC code: MMs03150709
Type: Neutral
Formula: C13H11NO2S
SMILES:   S1(=O)N(C(O)c2c1cccc2)c1ccccc1
InChI:   InChI=1/C13H11NO2S/c15-13-11-8-4-5-9-12(11)17(16)14(13)10-6-2-1-3-7-10/h1-9,13,15H/t13-,17-/m0/s1

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Potential Energy
Epot(MMFF94)=68.7611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.302 g/mol  logS: -3.07237  SlogP: 2.3158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0176877  Sterimol/B1: 2.56908  Sterimol/B2: 2.76109  Sterimol/B3: 3.96633
  Sterimol/B4: 4.16756  Sterimol/L: 14.0949 
 
 Surface and Volume Properties
  Accessible surface: 433.418  Positive charged surface: 235.486  Negative charged surface: 197.932  Volume: 222.375
  Hydrophobic surface: 351.291  Hydrophilic surface: 82.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.