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PUBCHEM-ZINC06451876

 MMsINC code: MMs03740751
Type: Neutral
Formula: C5H12NO4P
SMILES:   [PH](O)(=O)CN(CC(OC)=O)C
InChI:   InChI=1/C5H12NO4P/c1-6(4-11(8)9)3-5(7)10-2/h11H,3-4H2,1-2H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.7705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.128 g/mol  logS: 0.36547  SlogP: -1.5545  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0948378  Sterimol/B1: 1.97437  Sterimol/B2: 2.87877  Sterimol/B3: 4.06231
  Sterimol/B4: 4.7014  Sterimol/L: 13.17 
 
 Surface and Volume Properties
  Accessible surface: 372.672  Positive charged surface: 264.525  Negative charged surface: 108.147  Volume: 157.125
  Hydrophobic surface: 235.294  Hydrophilic surface: 137.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.