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NCID-ZINC01712055

MMsINC code: MMs02338890

Type: Neutral
Formula: C15H16O4S2
SMILES:   S(=O)(=O)(CS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C15H16O4S2/c1-12-3-7-14(8-4-12)20(16,17)11-21(18,19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=36.4473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.421 g/mol  logS: -4.11394  SlogP: 2.50854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0805808  Sterimol/B1: 2.95275  Sterimol/B2: 3.63912  Sterimol/B3: 3.95825
  Sterimol/B4: 6.32973  Sterimol/L: 16.202 
 
 Surface and Volume Properties
  Accessible surface: 530.124  Positive charged surface: 272.138  Negative charged surface: 257.986  Volume: 284.25
  Hydrophobic surface: 434.186  Hydrophilic surface: 95.938
 
 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.