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CHEMSTAR-ZINC00348861

MMsINC code: MMs01074775

Type: Neutral
Formula: C15H16O2S
SMILES:   S(=O)(=O)(c1cc(ccc1C)C)c1cc(ccc1)C
InChI:   InChI=1/C15H16O2S/c1-11-5-4-6-14(9-11)18(16,17)15-10-12(2)7-8-13(15)3/h4-10H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=75.4771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.357 g/mol  logS: -4.45774  SlogP: 3.44466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128759  Sterimol/B1: 2.2374  Sterimol/B2: 2.56469  Sterimol/B3: 4.98477
  Sterimol/B4: 7.23337  Sterimol/L: 12.7084 
 
 Surface and Volume Properties
  Accessible surface: 474.962  Positive charged surface: 246.485  Negative charged surface: 228.477  Volume: 251.625
  Hydrophobic surface: 419.718  Hydrophilic surface: 55.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.