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PUBCHEM-ZINC03165359

 MMsINC code: MMs03004124
Type: Neutral
Formula: C6H15PS
SMILES:   S=P(CCCC)(C)C
InChI:   InChI=1/C6H15PS/c1-4-5-6-7(2,3)8/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.0989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.226 g/mol  logS: -1.39974  SlogP: 2.5256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115887  Sterimol/B1: 3.15202  Sterimol/B2: 3.62237  Sterimol/B3: 3.76761
  Sterimol/B4: 4.41534  Sterimol/L: 11.4126 
 
 Surface and Volume Properties
  Accessible surface: 361.382  Positive charged surface: 234.731  Negative charged surface: 126.651  Volume: 160.375
  Hydrophobic surface: 246.53  Hydrophilic surface: 114.852
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.