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NCID-ZINC05063065

 MMsINC code: MMs02434846
Type: Neutral
Formula: C14H15NO2S
SMILES:   S(=O)(NOCc1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16)15-17-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=90.3103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.345 g/mol  logS: -4.15136  SlogP: 3.00542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042542  Sterimol/B1: 2.76237  Sterimol/B2: 2.93615  Sterimol/B3: 4.69636
  Sterimol/B4: 4.73409  Sterimol/L: 17.6098 
 
 Surface and Volume Properties
  Accessible surface: 519.336  Positive charged surface: 292.422  Negative charged surface: 226.913  Volume: 250.875
  Hydrophobic surface: 443.701  Hydrophilic surface: 75.635
 
 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.