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CHEMDIV-ZINC00102637

 MMsINC code: MMs00832783
Type: Neutral
Formula: C14H15NO4S
SMILES:   S(=O)(=O)(Nc1cc(OC)ccc1OC)c1ccccc1
InChI:   InChI=1/C14H15NO4S/c1-18-11-8-9-14(19-2)13(10-11)15-20(16,17)12-6-4-3-5-7-12/h3-10,15H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.5919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.343 g/mol  logS: -3.14748  SlogP: 2.5046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.260472  Sterimol/B1: 2.51963  Sterimol/B2: 4.03039  Sterimol/B3: 4.78825
  Sterimol/B4: 8.80556  Sterimol/L: 12.3523 
 
 Surface and Volume Properties
  Accessible surface: 495.278  Positive charged surface: 318.598  Negative charged surface: 176.68  Volume: 263.125
  Hydrophobic surface: 403.574  Hydrophilic surface: 91.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.