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ENAMINE-ZINC04815277

 MMsINC code: MMs01552991
Type: Neutral
Formula: C16H15FNO3S-
SMILES:   s1cc(CC(C)C)c(C(=O)[O-])c1NC(=O)c1ccc(F)cc1
InChI:   InChI=1/C16H16FNO3S/c1-9(2)7-11-8-22-15(13(11)16(20)21)18-14(19)10-3-5-12(17)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,20,21)/p-1

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Potential Energy
Epot(MMFF94)=37.0074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.364 g/mol  logS: -5.55084  SlogP: 2.70147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0411015  Sterimol/B1: 2.44638  Sterimol/B2: 3.55247  Sterimol/B3: 4.35249
  Sterimol/B4: 5.1159  Sterimol/L: 16.6372 
 
 Surface and Volume Properties
  Accessible surface: 534.334  Positive charged surface: 278.72  Negative charged surface: 255.614  Volume: 287.125
  Hydrophobic surface: 399.006  Hydrophilic surface: 135.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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


MMs01552992
ENAMINE-ZINC04815277