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PUBCHEM-ZINC05650882

 MMsINC code: MMs03337183
Type: Neutral
Formula: C5H13O3P
SMILES:   P(OCC)(OC)(=O)CC
InChI:   InChI=1/C5H13O3P/c1-4-8-9(6,5-2)7-3/h4-5H2,1-3H3/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.07171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.13 g/mol  logS: -0.2658  SlogP: 0.8121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0981117  Sterimol/B1: 2.48065  Sterimol/B2: 2.74338  Sterimol/B3: 3.67705
  Sterimol/B4: 5.93639  Sterimol/L: 11.2409 
 
 Surface and Volume Properties
  Accessible surface: 355.429  Positive charged surface: 263.812  Negative charged surface: 91.6162  Volume: 146.875
  Hydrophobic surface: 269.173  Hydrophilic surface: 86.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.