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ASINEX-ZINC04986205

 MMsINC code: MMs00423063
Type: Neutral
Formula: C14H18F2N2O4S
SMILES:   S(=O)(=O)(N(CC(=O)NCC1OCCC1)c1cc(F)c(F)cc1)C
InChI:   InChI=1/C14H18F2N2O4S/c1-23(20,21)18(10-4-5-12(15)13(16)7-10)9-14(19)17-8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=72.4852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.37 g/mol  logS: -2.75599  SlogP: 1.026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439525  Sterimol/B1: 2.28748  Sterimol/B2: 2.90463  Sterimol/B3: 3.97507
  Sterimol/B4: 8.50413  Sterimol/L: 16.116 
 
 Surface and Volume Properties
  Accessible surface: 558.914  Positive charged surface: 333.273  Negative charged surface: 225.641  Volume: 291.625
  Hydrophobic surface: 456.604  Hydrophilic surface: 102.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.