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AURORAFEINCHEMIE-ZINC01444992

 MMsINC code: MMs00448447
Type: Neutral
Formula: C4H11O2PS
SMILES:   S=[PH](OCC)OCC
InChI:   InChI=1/C4H11O2PS/c1-3-5-7(8)6-4-2/h7H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.917182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.17 g/mol  logS: -2.13041  SlogP: 1.5655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0601609  Sterimol/B1: 2.31573  Sterimol/B2: 2.66101  Sterimol/B3: 3.67949
  Sterimol/B4: 5.14025  Sterimol/L: 12.2681 
 
 Surface and Volume Properties
  Accessible surface: 354.443  Positive charged surface: 208.567  Negative charged surface: 145.876  Volume: 142.125
  Hydrophobic surface: 225.314  Hydrophilic surface: 129.129
 
 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.