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ASINEX-ZINC02827946

 MMsINC code: MMs00278719
Type: Neutral
Formula: C10H12FNO2S
SMILES:   S(CC(=O)Nc1ccc(F)cc1)CCO
InChI:   InChI=1/C10H12FNO2S/c11-8-1-3-9(4-2-8)12-10(14)7-15-6-5-13/h1-4,13H,5-7H2,(H,12,14)

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Potential Energy
Epot(MMFF94)=55.9305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.275 g/mol  logS: -2.67129  SlogP: 1.4897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0181892  Sterimol/B1: 2.46447  Sterimol/B2: 3.07017  Sterimol/B3: 3.19635
  Sterimol/B4: 4.72499  Sterimol/L: 16.3151 
 
 Surface and Volume Properties
  Accessible surface: 451.826  Positive charged surface: 281.062  Negative charged surface: 170.764  Volume: 206
  Hydrophobic surface: 323.399  Hydrophilic surface: 128.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.