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ENAMINE-ZINC05262297

 MMsINC code: MMs01603646
Type: Neutral
Formula: C15H16FNO2S
SMILES:   S(=O)(=O)(Nc1cc(F)ccc1C)c1ccc(cc1)CC
InChI:   InChI=1/C15H16FNO2S/c1-3-12-5-8-14(9-6-12)20(18,19)17-15-10-13(16)7-4-11(15)2/h4-10,17H,3H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.8068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.362 g/mol  logS: -4.49131  SlogP: 3.49729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193872  Sterimol/B1: 3.72313  Sterimol/B2: 4.11643  Sterimol/B3: 4.97935
  Sterimol/B4: 5.41538  Sterimol/L: 13.0848 
 
 Surface and Volume Properties
  Accessible surface: 497.269  Positive charged surface: 261.691  Negative charged surface: 235.578  Volume: 268
  Hydrophobic surface: 401.36  Hydrophilic surface: 95.909
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.