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PUBCHEM-ZINC05474611

 MMsINC code: MMs03279710
Type: Neutral
Formula: C9H20NO5P
SMILES:   P(OCC)(OCC)(=O)CN(CC(OC)=O)C
InChI:   InChI=1/C9H20NO5P/c1-5-14-16(12,15-6-2)8-10(3)7-9(11)13-4/h5-8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.235 g/mol  logS: -0.27736  SlogP: 0.2446  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0638858  Sterimol/B1: 2.07832  Sterimol/B2: 3.38695  Sterimol/B3: 3.6218
  Sterimol/B4: 7.9958  Sterimol/L: 15.7396 
 
 Surface and Volume Properties
  Accessible surface: 509.915  Positive charged surface: 398.955  Negative charged surface: 110.96  Volume: 240.75
  Hydrophobic surface: 386.918  Hydrophilic surface: 122.997
 
 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.