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ASINEX-ZINC00029201

 MMsINC code: MMs00059690
Type: Neutral
Formula: C12H16FNO2S
SMILES:   S(=O)(=O)(N1CCCCC1C)c1ccc(F)cc1
InChI:   InChI=1/C12H16FNO2S/c1-10-4-2-3-9-14(10)17(15,16)12-7-5-11(13)6-8-12/h5-8,10H,2-4,9H2,1H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=53.9667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.329 g/mol  logS: -2.67478  SlogP: 2.3888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115396  Sterimol/B1: 2.35183  Sterimol/B2: 3.45958  Sterimol/B3: 3.85703
  Sterimol/B4: 5.98172  Sterimol/L: 13.0342 
 
 Surface and Volume Properties
  Accessible surface: 431.347  Positive charged surface: 254.367  Negative charged surface: 176.979  Volume: 229.375
  Hydrophobic surface: 369.76  Hydrophilic surface: 61.587
 
 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.