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PUBCHEM-ZINC05860426

 MMsINC code: MMs03421791
Type: Neutral
Formula: C6H15O2PS
SMILES:   S(P(OCC)OCC)CC
InChI:   InChI=1/C6H15O2PS/c1-4-7-9(8-5-2)10-6-3/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.55453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.224 g/mol  logS: -1.84629  SlogP: 3.0394  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0843068  Sterimol/B1: 2.32772  Sterimol/B2: 3.1469  Sterimol/B3: 3.17768
  Sterimol/B4: 7.99372  Sterimol/L: 11.6154 
 
 Surface and Volume Properties
  Accessible surface: 415.177  Positive charged surface: 297.441  Negative charged surface: 117.736  Volume: 179.875
  Hydrophobic surface: 282.714  Hydrophilic surface: 132.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.