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PUBCHEM-ZINC05820389

 MMsINC code: MMs03399384
Type: Neutral
Formula: C8H19O2PS
SMILES:   S(P(OC)(=O)C)CCCCCC
InChI:   InChI=1/C8H19O2PS/c1-4-5-6-7-8-12-11(3,9)10-2/h4-8H2,1-3H3/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.4786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.278 g/mol  logS: -2.53526  SlogP: 2.699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0737621  Sterimol/B1: 2.6034  Sterimol/B2: 3.21529  Sterimol/B3: 3.97665
  Sterimol/B4: 5.36481  Sterimol/L: 15.085 
 
 Surface and Volume Properties
  Accessible surface: 449.227  Positive charged surface: 320.427  Negative charged surface: 128.8  Volume: 213.5
  Hydrophobic surface: 335.589  Hydrophilic surface: 113.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.