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ASINEX-ZINC02742960

 MMsINC code: MMs00277338
Type: Neutral
Formula: C9H12FNO3S
SMILES:   S(=O)(=O)(NCCOC)c1ccc(F)cc1
InChI:   InChI=1/C9H12FNO3S/c1-14-7-6-11-15(12,13)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3

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Potential Energy
Epot(MMFF94)=12.3708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.263 g/mol  logS: -1.66048  SlogP: 0.7504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161874  Sterimol/B1: 2.50756  Sterimol/B2: 3.73375  Sterimol/B3: 4.60739
  Sterimol/B4: 5.86107  Sterimol/L: 12.7354 
 
 Surface and Volume Properties
  Accessible surface: 430.578  Positive charged surface: 263.381  Negative charged surface: 167.197  Volume: 199.75
  Hydrophobic surface: 342.861  Hydrophilic surface: 87.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.