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ASINEX-ZINC00029554

 MMsINC code: MMs00059838
Type: Neutral
Formula: C10H14FNO2S
SMILES:   S(=O)(=O)(N(CC)CC)c1ccc(F)cc1
InChI:   InChI=1/C10H14FNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=15.6455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.291 g/mol  logS: -2.24784  SlogP: 1.8562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155319  Sterimol/B1: 2.44618  Sterimol/B2: 2.54732  Sterimol/B3: 5.15688
  Sterimol/B4: 6.0595  Sterimol/L: 12.0349 
 
 Surface and Volume Properties
  Accessible surface: 407.818  Positive charged surface: 224.781  Negative charged surface: 183.037  Volume: 207.75
  Hydrophobic surface: 314.149  Hydrophilic surface: 93.669
 
 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.