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PUBCHEM-ZINC05921863

 MMsINC code: MMs03444204
Type: Neutral
Formula: C4H11O3PS
SMILES:   S(P(OC)(OC)=O)CC
InChI:   InChI=1/C4H11O3PS/c1-4-9-8(5,6-2)7-3/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-12.1868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.169 g/mol  logS: -1.04239  SlogP: 1.0702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125692  Sterimol/B1: 2.29421  Sterimol/B2: 2.68209  Sterimol/B3: 3.99414
  Sterimol/B4: 6.13718  Sterimol/L: 9.16992 
 
 Surface and Volume Properties
  Accessible surface: 341.321  Positive charged surface: 241.38  Negative charged surface: 99.9409  Volume: 149.875
  Hydrophobic surface: 237.963  Hydrophilic surface: 103.358
 
 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.