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ENAMINE-ZINC03303356

 MMsINC code: MMs01359764
Type: Neutral
Formula: C24H21F2NO4S
SMILES:   S(=O)(=O)(N1CCc2c(cccc2)C1CC(OCc1ccc(F)cc1)=O)c1ccc(F)cc1
InChI:   InChI=1/C24H21F2NO4S/c25-19-7-5-17(6-8-19)16-31-24(28)15-23-22-4-2-1-3-18(22)13-14-27(23)32(29,30)21-11-9-20(26)10-12-21/h1-12,23H,13-16H2/t23-/m1/s1

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Potential Energy
Epot(MMFF94)=109.166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 457.497 g/mol  logS: -5.89816  SlogP: 4.74827  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.153462  Sterimol/B1: 2.68534  Sterimol/B2: 2.70493  Sterimol/B3: 6.46158
  Sterimol/B4: 8.85852  Sterimol/L: 16.8638 
 
 Surface and Volume Properties
  Accessible surface: 681.492  Positive charged surface: 346.529  Negative charged surface: 334.963  Volume: 397.25
  Hydrophobic surface: 611.265  Hydrophilic surface: 70.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.