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PUBCHEM-ZINC02468817

 MMsINC code: MMs02888541
Type: Neutral
Formula: C26H24N2O6S3
SMILES:   S(=O)(=O)(c1cc(S(=O)(=O)Nc2ccccc2C)ccc1)c1cc(S(=O)(=O)Nc2ccc
cc2C)ccc1
InChI:   InChI=1/C26H24N2O6S3/c1-19-9-3-5-15-25(19)27-36(31,32)23-13-7-11-21(17-23)35(29,30)22-12-8-14-24(18-22)37(33,34)28-26-16-6-4-10-20(26)2/h3-18,27-28H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.4594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 556.684 g/mol  logS: -6.99405  SlogP: 4.73784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119176  Sterimol/B1: 3.82388  Sterimol/B2: 4.43283  Sterimol/B3: 6.18439
  Sterimol/B4: 6.32142  Sterimol/L: 18.856 
 
 Surface and Volume Properties
  Accessible surface: 764.782  Positive charged surface: 373.071  Negative charged surface: 391.711  Volume: 474.625
  Hydrophobic surface: 575.748  Hydrophilic surface: 189.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.