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CHEMDIV-ZINC02689582

 MMsINC code: MMs00884304
Type: Neutral
Formula: C18H16O7S
SMILES:   S(=O)(=O)(C1=Cc2cc(OC)ccc2OC1=O)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C18H16O7S/c1-22-12-4-6-14-11(8-12)9-17(18(19)25-14)26(20,21)13-5-7-15(23-2)16(10-13)24-3/h4-10H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.385 g/mol  logS: -4.92272  SlogP: 2.4462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961616  Sterimol/B1: 2.89828  Sterimol/B2: 5.03346  Sterimol/B3: 5.22926
  Sterimol/B4: 6.06461  Sterimol/L: 17.7254 
 
 Surface and Volume Properties
  Accessible surface: 597.304  Positive charged surface: 396.572  Negative charged surface: 200.732  Volume: 321.5
  Hydrophobic surface: 468.573  Hydrophilic surface: 128.731
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.