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PUBCHEM-ZINC02496168

 MMsINC code: MMs02889602
Type: Neutral
Formula: C8H18NO4P
SMILES:   P(OCC)(OCC)(=O)CN(C(=O)C)C
InChI:   InChI=1/C8H18NO4P/c1-5-12-14(11,13-6-2)7-9(4)8(3)10/h5-7H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.209 g/mol  logS: -0.04524  SlogP: 0.6181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994656  Sterimol/B1: 2.55979  Sterimol/B2: 2.94343  Sterimol/B3: 3.83871
  Sterimol/B4: 7.10071  Sterimol/L: 13.0034 
 
 Surface and Volume Properties
  Accessible surface: 449.155  Positive charged surface: 334.903  Negative charged surface: 114.252  Volume: 212.875
  Hydrophobic surface: 349.584  Hydrophilic surface: 99.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.