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ENAMINE-ZINC03258794

 MMsINC code: MMs01335368
Type: Neutral
Formula: C23H24N4O6S2
SMILES:   S(=O)(=O)(NC(=O)Nc1cc(NC(=O)NS(=O)(=O)c2ccc(cc2)C)ccc1C)c1cc
c(cc1)C
InChI:   InChI=1/C23H24N4O6S2/c1-15-4-10-19(11-5-15)34(30,31)26-22(28)24-18-9-8-17(3)21(14-18)25-23(29)27-35(32,33)20-12-6-16(2)7-13-20/h4-14H,1-3H3,(H2,24,26,28)(H2,25,27,29)

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Potential Energy
Epot(MMFF94)=2.79753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 516.599 g/mol  logS: -6.67371  SlogP: 3.63266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164843  Sterimol/B1: 3.35441  Sterimol/B2: 3.56756  Sterimol/B3: 6.38213
  Sterimol/B4: 10.1962  Sterimol/L: 16.0634 
 
 Surface and Volume Properties
  Accessible surface: 798.479  Positive charged surface: 430.212  Negative charged surface: 368.268  Volume: 444.625
  Hydrophobic surface: 574.978  Hydrophilic surface: 223.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.