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ENAMINE-ZINC03552371

 MMsINC code: MMs01504286
Type: Neutral
Formula: C23H30N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)Nc1c(cccc1C(C)C)C(C)C
InChI:   InChI=1/C23H30N2O4S/c1-16(2)20-9-6-10-21(17(3)4)22(20)24-23(26)18-7-5-8-19(15-18)30(27,28)25-11-13-29-14-12-25/h5-10,15-17H,11-14H2,1-4H3,(H,24,26)

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Potential Energy
Epot(MMFF94)=122.909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.569 g/mol  logS: -5.94173  SlogP: 4.2066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0727251  Sterimol/B1: 2.25401  Sterimol/B2: 2.50085  Sterimol/B3: 6.11279
  Sterimol/B4: 8.19326  Sterimol/L: 17.3657 
 
 Surface and Volume Properties
  Accessible surface: 701.904  Positive charged surface: 460.036  Negative charged surface: 241.868  Volume: 414.875
  Hydrophobic surface: 542.202  Hydrophilic surface: 159.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.