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ENAMINE-ZINC03320325

 MMsINC code: MMs01369863
Type: Neutral
Formula: C13H18FNO2S
SMILES:   S(=O)(=O)(N1CCCCC1CC)c1ccccc1F
InChI:   InChI=1/C13H18FNO2S/c1-2-11-7-5-6-10-15(11)18(16,17)13-9-4-3-8-12(13)14/h3-4,8-9,11H,2,5-7,10H2,1H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=41.2464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.356 g/mol  logS: -2.87655  SlogP: 2.7789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137661  Sterimol/B1: 2.36939  Sterimol/B2: 2.71667  Sterimol/B3: 4.46888
  Sterimol/B4: 7.25632  Sterimol/L: 12.7629 
 
 Surface and Volume Properties
  Accessible surface: 451.682  Positive charged surface: 278.69  Negative charged surface: 172.992  Volume: 246.5
  Hydrophobic surface: 383.756  Hydrophilic surface: 67.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.