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NCID-ZINC05064343

 MMsINC code: MMs02435727
Type: Neutral
Formula: C8H19O2PS
SMILES:   S=P(OCC)(OCC)C(C)(C)C
InChI:   InChI=1/C8H19O2PS/c1-6-9-11(12,10-7-2)8(3,4)5/h6-7H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.8979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.278 g/mol  logS: -2.50071  SlogP: 3.1674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176549  Sterimol/B1: 2.30972  Sterimol/B2: 3.41194  Sterimol/B3: 4.89751
  Sterimol/B4: 6.52428  Sterimol/L: 12.2616 
 
 Surface and Volume Properties
  Accessible surface: 419.345  Positive charged surface: 263.013  Negative charged surface: 156.332  Volume: 208.25
  Hydrophobic surface: 261.595  Hydrophilic surface: 157.75
 
 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.