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PUBCHEM-ZINC03161507

 MMsINC code: MMs03003528
Type: Neutral
Formula: C9H18NO5P
SMILES:   P(OCC)(OCC)(=O)C(=O)N1CCOCC1
InChI:   InChI=1/C9H18NO5P/c1-3-14-16(12,15-4-2)9(11)10-5-7-13-8-6-10/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.7512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.219 g/mol  logS: -0.67982  SlogP: 0.6345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103843  Sterimol/B1: 2.11528  Sterimol/B2: 2.70413  Sterimol/B3: 4.22529
  Sterimol/B4: 7.95672  Sterimol/L: 13.3755 
 
 Surface and Volume Properties
  Accessible surface: 470.349  Positive charged surface: 353.313  Negative charged surface: 117.036  Volume: 226.875
  Hydrophobic surface: 340.172  Hydrophilic surface: 130.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.