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PUBCHEM-ZINC06757810

 MMsINC code: MMs03853343
Type: Neutral
Formula: C5H12NO3P
SMILES:   [PH](O)(=O)CN(C(=O)C)CC
InChI:   InChI=1/C5H12NO3P/c1-3-6(5(2)7)4-10(8)9/h10H,3-4H2,1-2H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.6082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.129 g/mol  logS: 0.27038  SlogP: -0.7909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156378  Sterimol/B1: 2.21987  Sterimol/B2: 2.96643  Sterimol/B3: 3.16891
  Sterimol/B4: 5.55392  Sterimol/L: 10.1326 
 
 Surface and Volume Properties
  Accessible surface: 341.371  Positive charged surface: 201.777  Negative charged surface: 139.594  Volume: 149.75
  Hydrophobic surface: 197.304  Hydrophilic surface: 144.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.