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ASINEX-ZINC05014533

 MMsINC code: MMs00435762
Type: Neutral
Formula: C13H21NO2S
SMILES:   S(=O)(=O)(NC(C(C)C)C(C)C)c1ccccc1
InChI:   InChI=1/C13H21NO2S/c1-10(2)13(11(3)4)14-17(15,16)12-8-6-5-7-9-12/h5-11,13-14H,1-4H3

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Potential Energy
Epot(MMFF94)=47.3114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.382 g/mol  logS: -2.68436  SlogP: 2.6455  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.242384  Sterimol/B1: 2.95  Sterimol/B2: 4.24688  Sterimol/B3: 5.13052
  Sterimol/B4: 5.17294  Sterimol/L: 12.1804 
 
 Surface and Volume Properties
  Accessible surface: 457.479  Positive charged surface: 263.712  Negative charged surface: 193.767  Volume: 253.25
  Hydrophobic surface: 325.441  Hydrophilic surface: 132.038
 
 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.