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NCID-ZINC05600187

 MMsINC code: MMs02478868
Type: Neutral
Formula: C11H22OS4
SMILES:   S1CC(O)CSCCCSCCSCCC1
InChI:   InChI=1/C11H22OS4/c12-11-9-15-5-1-3-13-7-8-14-4-2-6-16-10-11/h11-12H,1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.6202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.56 g/mol  logS: -3.9079  SlogP: 3.0739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10406  Sterimol/B1: 2.48929  Sterimol/B2: 2.56607  Sterimol/B3: 3.46327
  Sterimol/B4: 9.00886  Sterimol/L: 11.9784 
 
 Surface and Volume Properties
  Accessible surface: 487.489  Positive charged surface: 343.249  Negative charged surface: 144.239  Volume: 280.375
  Hydrophobic surface: 328.819  Hydrophilic surface: 158.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.