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ENAMINE-ZINC03357956

 MMsINC code: MMs01394035
Type: Neutral
Formula: C11H17NO2S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)CC)CCC
InChI:   InChI=1/C11H17NO2S/c1-3-9-15(13,14)12-11-7-5-10(4-2)6-8-11/h5-8,12H,3-4,9H2,1-2H3

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Potential Energy
Epot(MMFF94)=13.8242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.328 g/mol  logS: -2.74098  SlogP: 2.40067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0883525  Sterimol/B1: 2.12777  Sterimol/B2: 2.9832  Sterimol/B3: 3.89654
  Sterimol/B4: 6.13431  Sterimol/L: 14.2659 
 
 Surface and Volume Properties
  Accessible surface: 449.939  Positive charged surface: 287.091  Negative charged surface: 162.849  Volume: 223.5
  Hydrophobic surface: 322.356  Hydrophilic surface: 127.583
 
 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.