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MAYBRIDGE-ZINC00138852

 MMsINC code: MMs02138959
Type: Neutral
Formula: C14H14O4S
SMILES:   S(=O)(=O)(c1cc(OC)ccc1OC)c1ccccc1
InChI:   InChI=1/C14H14O4S/c1-17-11-8-9-13(18-2)14(10-11)19(15,16)12-6-4-3-5-7-12/h3-10H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.328 g/mol  logS: -3.45019  SlogP: 2.5366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12028  Sterimol/B1: 2.75351  Sterimol/B2: 3.19047  Sterimol/B3: 5.20664
  Sterimol/B4: 6.40158  Sterimol/L: 13.7478 
 
 Surface and Volume Properties
  Accessible surface: 479.528  Positive charged surface: 295.498  Negative charged surface: 184.03  Volume: 251.375
  Hydrophobic surface: 412.078  Hydrophilic surface: 67.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.