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PUBCHEM-ZINC02773314

 MMsINC code: MMs02921818
Type: Neutral
Formula: C23H32N2O5S2
SMILES:   S(=O)(=O)(Nc1ccc(S(=O)(=O)NC(=O)C)cc1)c1c(cc(cc1C(C)C)C(C)C)
C(C)C
InChI:   InChI=1/C23H32N2O5S2/c1-14(2)18-12-21(15(3)4)23(22(13-18)16(5)6)32(29,30)25-19-8-10-20(11-9-19)31(27,28)24-17(7)26/h8-16,25H,1-7H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.0271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.65 g/mol  logS: -7.36544  SlogP: 4.6824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.357798  Sterimol/B1: 2.88921  Sterimol/B2: 5.25655  Sterimol/B3: 5.98704
  Sterimol/B4: 8.67871  Sterimol/L: 14.673 
 
 Surface and Volume Properties
  Accessible surface: 711.96  Positive charged surface: 426.609  Negative charged surface: 285.351  Volume: 437.875
  Hydrophobic surface: 444.707  Hydrophilic surface: 267.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.