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PUBCHEM-ZINC05352190

 MMsINC code: MMs03245803
Type: Neutral
Formula: C16H34S
SMILES:   SC(CCCCCCCCCC(C)(C)C)(C)C
InChI:   InChI=1/C16H34S/c1-15(2,3)13-11-9-7-6-8-10-12-14-16(4,5)17/h17H,6-14H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.2119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.514 g/mol  logS: -7.42982  SlogP: 6.2518  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0343904  Sterimol/B1: 2.59653  Sterimol/B2: 2.67698  Sterimol/B3: 3.80326
  Sterimol/B4: 4.92996  Sterimol/L: 19.7382 
 
 Surface and Volume Properties
  Accessible surface: 594.023  Positive charged surface: 436.25  Negative charged surface: 157.773  Volume: 312.375
  Hydrophobic surface: 466.93  Hydrophilic surface: 127.093
 
 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.