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PUBCHEM-ZINC02905291

 MMsINC code: MMs02957058
Type: Neutral
Formula: C26H22O6S3
SMILES:   S(=O)(=O)(c1ccc(cc1)C)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(cc
3)C)cc2)cc1
InChI:   InChI=1/C26H22O6S3/c1-19-3-7-21(8-4-19)33(27,28)23-11-15-25(16-12-23)35(31,32)26-17-13-24(14-18-26)34(29,30)22-9-5-20(2)6-10-22/h3-18H,1-2H3

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Potential Energy
Epot(MMFF94)=116.302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 526.654 g/mol  logS: -8.22637  SlogP: 4.80184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414678  Sterimol/B1: 2.64677  Sterimol/B2: 3.61049  Sterimol/B3: 3.63551
  Sterimol/B4: 6.07336  Sterimol/L: 24.6158 
 
 Surface and Volume Properties
  Accessible surface: 791.696  Positive charged surface: 337.541  Negative charged surface: 454.155  Volume: 452.5
  Hydrophobic surface: 621.674  Hydrophilic surface: 170.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.