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SIAL-ZINC04788108

 MMsINC code: MMs03925264
Type: Neutral
Formula: C18H24S4
SMILES:   S1SCC2(CCC3(CCc4ccc(CC2)cc4)CSSC3)C1
InChI:   InChI=1/C18H24S4/c1-2-16-4-3-15(1)5-7-17(11-19-20-12-17)9-10-18(8-6-16)13-21-22-14-18/h1-4H,5-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=311.814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.654 g/mol  logS: -7.42858  SlogP: 6.10834  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.300548  Sterimol/B1: 2.097  Sterimol/B2: 3.18436  Sterimol/B3: 5.32392
  Sterimol/B4: 6.78295  Sterimol/L: 12.1366 
 
 Surface and Volume Properties
  Accessible surface: 493.153  Positive charged surface: 238.865  Negative charged surface: 254.289  Volume: 328
  Hydrophobic surface: 313.7  Hydrophilic surface: 179.453
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.