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PUBCHEM-ZINC05419906

 MMsINC code: MMs03263529
Type: Neutral
Formula: C24H28N2O2S
SMILES:   S(OC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)(=O)c1ccc(cc1)C
InChI:   InChI=1/C24H28N2O2S/c1-18-6-16-23(17-7-18)29(27)28-24(19-8-12-21(13-9-19)25(2)3)20-10-14-22(15-11-20)26(4)5/h6-17,24H,1-5H3/t29-/m1/s1

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Potential Energy
Epot(MMFF94)=152.232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.566 g/mol  logS: -5.79415  SlogP: 5.05132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153515  Sterimol/B1: 3.11447  Sterimol/B2: 5.63268  Sterimol/B3: 5.78586
  Sterimol/B4: 9.52291  Sterimol/L: 16.6297 
 
 Surface and Volume Properties
  Accessible surface: 729.385  Positive charged surface: 511.497  Negative charged surface: 217.888  Volume: 410.5
  Hydrophobic surface: 686.645  Hydrophilic surface: 42.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.