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ENAMINE-ZINC04564138

 MMsINC code: MMs01547846
Type: Neutral
Formula: C19H20FNOS
SMILES:   S(C(C(=O)NC1CCCc2c1cccc2)C)c1ccc(F)cc1
InChI:   InChI=1/C19H20FNOS/c1-13(23-16-11-9-15(20)10-12-16)19(22)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,21,22)/t13-,18+/m0/s1

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Potential Energy
Epot(MMFF94)=77.3851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.439 g/mol  logS: -5.8698  SlogP: 4.59557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582302  Sterimol/B1: 2.32404  Sterimol/B2: 3.07999  Sterimol/B3: 4.45887
  Sterimol/B4: 7.66432  Sterimol/L: 16.6848 
 
 Surface and Volume Properties
  Accessible surface: 573.679  Positive charged surface: 321.195  Negative charged surface: 252.484  Volume: 316
  Hydrophobic surface: 499.37  Hydrophilic surface: 74.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.