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ENAMINE-ZINC04134581

 MMsINC code: MMs01531406
Type: Neutral
Formula: C15H14FNO4S
SMILES:   S(=O)(=O)(NC(CC(O)=O)c1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C15H14FNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(10-15(18)19)11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=17.4339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.344 g/mol  logS: -3.1635  SlogP: 2.4155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188142  Sterimol/B1: 2.84478  Sterimol/B2: 3.36004  Sterimol/B3: 5.02185
  Sterimol/B4: 6.31489  Sterimol/L: 14.3112 
 
 Surface and Volume Properties
  Accessible surface: 502.889  Positive charged surface: 259.956  Negative charged surface: 242.933  Volume: 274.625
  Hydrophobic surface: 362.606  Hydrophilic surface: 140.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01531407
ENAMINE-ZINC04134581