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NCID-ZINC01641382

 MMsINC code: MMs02283361
Type: Neutral
Formula: C15H26NO5P
SMILES:   P(OCC)(OCC)(=O)Cc1ccc(N(CCO)CCO)cc1
InChI:   InChI=1/C15H26NO5P/c1-3-20-22(19,21-4-2)13-14-5-7-15(8-6-14)16(9-11-17)10-12-18/h5-8,17-18H,3-4,9-13H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.3067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.349 g/mol  logS: -1.55603  SlogP: 1.4399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12088  Sterimol/B1: 2.12395  Sterimol/B2: 4.36274  Sterimol/B3: 4.43288
  Sterimol/B4: 7.5809  Sterimol/L: 16.8995 
 
 Surface and Volume Properties
  Accessible surface: 616.487  Positive charged surface: 471.074  Negative charged surface: 145.413  Volume: 320.625
  Hydrophobic surface: 438.707  Hydrophilic surface: 177.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.