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PUBCHEM-ZINC03636154

 MMsINC code: MMs03029871
Type: Neutral
Formula: C8H19O3PS
SMILES:   S(P(OCC)(OCC)=O)C(C)(C)C
InChI:   InChI=1/C8H19O3PS/c1-6-10-12(9,11-7-2)13-8(3,4)5/h6-7H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.58556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.277 g/mol  logS: -2.35123  SlogP: 2.629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163433  Sterimol/B1: 2.42277  Sterimol/B2: 2.63281  Sterimol/B3: 4.51544
  Sterimol/B4: 6.85496  Sterimol/L: 12.2893 
 
 Surface and Volume Properties
  Accessible surface: 427.598  Positive charged surface: 280.789  Negative charged surface: 146.81  Volume: 220.75
  Hydrophobic surface: 277.958  Hydrophilic surface: 149.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.