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ASINEX-ZINC00300711

 MMsINC code: MMs00113815
Type: Neutral
Formula: C10H12FNO2S
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(F)cc1
InChI:   InChI=1/C10H12FNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2

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Potential Energy
Epot(MMFF94)=17.7472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.275 g/mol  logS: -2.1458  SlogP: 1.6102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183579  Sterimol/B1: 2.43483  Sterimol/B2: 3.04455  Sterimol/B3: 4.64707
  Sterimol/B4: 4.86719  Sterimol/L: 11.8907 
 
 Surface and Volume Properties
  Accessible surface: 405.849  Positive charged surface: 236.369  Negative charged surface: 169.48  Volume: 196.375
  Hydrophobic surface: 347.256  Hydrophilic surface: 58.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.