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PUBCHEM-ZINC03160015

 MMsINC code: MMs03003189
Type: Neutral
Formula: C14H23PS2
SMILES:   S(P(=S)(CCCC)CCCC)c1ccccc1
InChI:   InChI=1/C14H23PS2/c1-3-5-12-15(16,13-6-4-2)17-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.1889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.444 g/mol  logS: -5.3716  SlogP: 5.7734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0764328  Sterimol/B1: 2.62997  Sterimol/B2: 3.84576  Sterimol/B3: 4.59101
  Sterimol/B4: 7.60222  Sterimol/L: 15.429 
 
 Surface and Volume Properties
  Accessible surface: 536.772  Positive charged surface: 323.83  Negative charged surface: 212.942  Volume: 295.75
  Hydrophobic surface: 414.388  Hydrophilic surface: 122.384
 
 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.