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CHEMDIV-ZINC04264009

 MMsINC code: MMs00932768
Type: Neutral
Formula: C18H19NO5S2
SMILES:   S(=O)(=O)(N(C1C=CS(=O)(=O)C1)c1cc(OC)ccc1)c1ccc(cc1)C
InChI:   InChI=1/C18H19NO5S2/c1-14-6-8-18(9-7-14)26(22,23)19(16-10-11-25(20,21)13-16)15-4-3-5-17(12-15)24-2/h3-12,16H,13H2,1-2H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=84.7587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.484 g/mol  logS: -4.17918  SlogP: 2.50962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117429  Sterimol/B1: 3.36634  Sterimol/B2: 3.83754  Sterimol/B3: 5.43447
  Sterimol/B4: 6.05995  Sterimol/L: 16.353 
 
 Surface and Volume Properties
  Accessible surface: 570.495  Positive charged surface: 325.622  Negative charged surface: 244.873  Volume: 338.125
  Hydrophobic surface: 443.976  Hydrophilic surface: 126.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.