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ENAMINE-ZINC03175799

 MMsINC code: MMs01295738
Type: Tautomer
Formula: C15H14FNO3S
SMILES:   s1cc(C(C)C)c(C(O)=O)c1NC(=O)c1ccc(F)cc1
InChI:   InChI=1/C15H14FNO3S/c1-8(2)11-7-21-14(12(11)15(19)20)17-13(18)9-3-5-10(16)6-4-9/h3-8H,1-2H3,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=65.8062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.345 g/mol  logS: -4.77517  SlogP: 3.9611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390334  Sterimol/B1: 2.34937  Sterimol/B2: 4.25072  Sterimol/B3: 4.86791
  Sterimol/B4: 4.88518  Sterimol/L: 16.0688 
 
 Surface and Volume Properties
  Accessible surface: 522.355  Positive charged surface: 259.784  Negative charged surface: 262.571  Volume: 269.625
  Hydrophobic surface: 368.075  Hydrophilic surface: 154.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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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Parent related molecule:


MMs01295737
ENAMINE-ZINC03175799