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ASINEX-ZINC00318754

 MMsINC code: MMs00117709
Type: Neutral
Formula: C13H15NO2S
SMILES:   S(=O)(=O)(NC(C)C)c1cc2c(cc1)cccc2
InChI:   InChI=1/C13H15NO2S/c1-10(2)14-17(15,16)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14H,1-2H3

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Potential Energy
Epot(MMFF94)=20.5503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.334 g/mol  logS: -3.75516  SlogP: 2.5265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126072  Sterimol/B1: 3.04362  Sterimol/B2: 3.24871  Sterimol/B3: 4.68682
  Sterimol/B4: 5.66144  Sterimol/L: 13.2641 
 
 Surface and Volume Properties
  Accessible surface: 443.748  Positive charged surface: 239.784  Negative charged surface: 197.779  Volume: 235
  Hydrophobic surface: 326.759  Hydrophilic surface: 116.989
 
 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.