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NCID-ZINC01648861

 MMsINC code: MMs02288907
Type: Neutral
Formula: C26H22N2O4S2
SMILES:   S(=O)(=O)(n1cc(cc1)-c1cc2n(S(=O)(=O)c3ccc(cc3)C)ccc2cc1)c1cc
c(cc1)C
InChI:   InChI=1/C26H22N2O4S2/c1-19-3-9-24(10-4-19)33(29,30)27-15-13-23(18-27)22-8-7-21-14-16-28(26(21)17-22)34(31,32)25-11-5-20(2)6-12-25/h3-18H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.604 g/mol  logS: -7.37414  SlogP: 5.20064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120995  Sterimol/B1: 2.50982  Sterimol/B2: 5.04139  Sterimol/B3: 6.78395
  Sterimol/B4: 7.75089  Sterimol/L: 17.7257 
 
 Surface and Volume Properties
  Accessible surface: 742.645  Positive charged surface: 333.608  Negative charged surface: 403.234  Volume: 439.125
  Hydrophobic surface: 586.641  Hydrophilic surface: 156.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.