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PUBCHEM-ZINC01147974

 MMsINC code: MMs02779289
Type: Neutral
Formula: C25H24N2O4S2
SMILES:   S(=O)(=O)(Nc1ccc(S(=O)(=O)Nc2c3c(ccc2)cccc3)cc1)c1c(cc(cc1C)
C)C
InChI:   InChI=1/C25H24N2O4S2/c1-17-15-18(2)25(19(3)16-17)33(30,31)26-21-11-13-22(14-12-21)32(28,29)27-24-10-6-8-20-7-4-5-9-23(20)24/h4-16,26-27H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.609 g/mol  logS: -7.3813  SlogP: 5.36666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235153  Sterimol/B1: 2.09561  Sterimol/B2: 3.71261  Sterimol/B3: 6.01375
  Sterimol/B4: 8.96603  Sterimol/L: 14.4776 
 
 Surface and Volume Properties
  Accessible surface: 697.479  Positive charged surface: 353.369  Negative charged surface: 335.269  Volume: 424.375
  Hydrophobic surface: 555.892  Hydrophilic surface: 141.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.