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PUBCHEM-ZINC02146726

 MMsINC code: MMs02876713
Type: Neutral
Formula: C11H24NO4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(=O)N(CC)CC
InChI:   InChI=1/C11H24NO4P/c1-7-12(8-2)11(13)17(14,15-9(3)4)16-10(5)6/h9-10H,7-8H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.6578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.29 g/mol  logS: -1.69718  SlogP: 2.4211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125017  Sterimol/B1: 2.97322  Sterimol/B2: 3.02419  Sterimol/B3: 3.69728
  Sterimol/B4: 7.16395  Sterimol/L: 13.0792 
 
 Surface and Volume Properties
  Accessible surface: 489.001  Positive charged surface: 330.146  Negative charged surface: 158.854  Volume: 264
  Hydrophobic surface: 320.981  Hydrophilic surface: 168.02
 
 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.