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CHEMDIV-ZINC00133400

MMsINC code: MMs00834268

Type: Neutral
Formula: C19H16O2S
SMILES:   S(=O)(=O)(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C19H16O2S/c1-15-7-11-18(12-8-15)22(20,21)19-13-9-17(10-14-19)16-5-3-2-4-6-16/h2-14H,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=84.3874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.401 g/mol  logS: -6.24973  SlogP: 4.49482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11974  Sterimol/B1: 2.27545  Sterimol/B2: 3.36982  Sterimol/B3: 4.36678
  Sterimol/B4: 7.12272  Sterimol/L: 16.9717 
 
 Surface and Volume Properties
  Accessible surface: 552.57  Positive charged surface: 247.062  Negative charged surface: 293.467  Volume: 296.125
  Hydrophobic surface: 495.896  Hydrophilic surface: 56.674
 
 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.