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PUBCHEM-ZINC02169872

 MMsINC code: MMs02879750
Type: Neutral
Formula: C4H11O3P
SMILES:   P(OC)(OC)(=O)CC
InChI:   InChI=1/C4H11O3P/c1-4-8(5,6-2)7-3/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.74904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.103 g/mol  logS: 0.06141  SlogP: 0.422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207132  Sterimol/B1: 2.00485  Sterimol/B2: 4.06993  Sterimol/B3: 4.07036
  Sterimol/B4: 4.60031  Sterimol/L: 8.85957 
 
 Surface and Volume Properties
  Accessible surface: 316.453  Positive charged surface: 248.12  Negative charged surface: 68.3327  Volume: 129
  Hydrophobic surface: 253.513  Hydrophilic surface: 62.94
 
 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.