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CHEMDIV-ZINC01516304

 MMsINC code: MMs00867243
Type: Neutral
Formula: C14H14O4S
SMILES:   S(=O)(=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C14H14O4S/c1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14/h3-10H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.3378 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: 0.136358  Sterimol/B1: 2.12539  Sterimol/B2: 3.87683  Sterimol/B3: 4.5278
  Sterimol/B4: 6.37654  Sterimol/L: 15.4405 
 
 Surface and Volume Properties
  Accessible surface: 490.004  Positive charged surface: 298.644  Negative charged surface: 191.36  Volume: 252.375
  Hydrophobic surface: 412.745  Hydrophilic surface: 77.259
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.