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PUBCHEM-ZINC05413732

 MMsINC code: MMs03261419
Type: Neutral
Formula: C20H18S2
SMILES:   S(C(Sc1ccccc1)c1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C20H18S2/c1-16-12-14-17(15-13-16)20(21-18-8-4-2-5-9-18)22-19-10-6-3-7-11-19/h2-15,20H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.4384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.496 g/mol  logS: -7.34457  SlogP: 6.67372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106482  Sterimol/B1: 3.32857  Sterimol/B2: 3.42601  Sterimol/B3: 4.08267
  Sterimol/B4: 8.7596  Sterimol/L: 15.4299 
 
 Surface and Volume Properties
  Accessible surface: 573.609  Positive charged surface: 297.53  Negative charged surface: 276.079  Volume: 321
  Hydrophobic surface: 526.879  Hydrophilic surface: 46.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.