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PUBCHEM-ZINC05474649

 MMsINC code: MMs03279714
Type: Neutral
Formula: C10H22NO5P
SMILES:   P(OCC)(OCC)(=O)CNCCCC(OC)=O
InChI:   InChI=1/C10H22NO5P/c1-4-15-17(13,16-5-2)9-11-8-6-7-10(12)14-3/h11H,4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.6989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.262 g/mol  logS: -0.2301  SlogP: 0.6826  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0631067  Sterimol/B1: 2.49205  Sterimol/B2: 2.73496  Sterimol/B3: 4.52264
  Sterimol/B4: 7.58204  Sterimol/L: 17.2741 
 
 Surface and Volume Properties
  Accessible surface: 556.832  Positive charged surface: 436.137  Negative charged surface: 120.695  Volume: 258
  Hydrophobic surface: 413.967  Hydrophilic surface: 142.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.