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PUBCHEM-ZINC00707411

 MMsINC code: MMs02731767
Type: Neutral
Formula: C24H26N2O4S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)c2ccccc2)C1c1ccccc1)c1c(cc(cc1C)C)C
InChI:   InChI=1/C24H26N2O4S2/c1-18-16-19(2)23(20(3)17-18)32(29,30)26-15-14-25(24(26)21-10-6-4-7-11-21)31(27,28)22-12-8-5-9-13-22/h4-13,16-17,24H,14-15H2,1-3H3/t24-/m0/s1

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Potential Energy
Epot(MMFF94)=74.2736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.614 g/mol  logS: -5.59867  SlogP: 4.10136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.341875  Sterimol/B1: 4.05013  Sterimol/B2: 5.6246  Sterimol/B3: 5.90536
  Sterimol/B4: 7.01648  Sterimol/L: 15.2032 
 
 Surface and Volume Properties
  Accessible surface: 682.584  Positive charged surface: 378.383  Negative charged surface: 304.201  Volume: 429.875
  Hydrophobic surface: 600.002  Hydrophilic surface: 82.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.