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PUBCHEM-ZINC06439430

 MMsINC code: MMs03729973
Type: Neutral
Formula: C11H27NO6P2
SMILES:   P(OCC)(OCC)(=O)C(NC)CP(OCC)(OCC)=O
InChI:   InChI=1/C11H27NO6P2/c1-6-15-19(13,16-7-2)10-11(12-5)20(14,17-8-3)18-9-4/h11-12H,6-10H2,1-5H3/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.6303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.286 g/mol  logS: -0.58873  SlogP: 0.9237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137247  Sterimol/B1: 2.52443  Sterimol/B2: 3.75802  Sterimol/B3: 4.63887
  Sterimol/B4: 8.1614  Sterimol/L: 13.7103 
 
 Surface and Volume Properties
  Accessible surface: 611.791  Positive charged surface: 455.066  Negative charged surface: 156.725  Volume: 308.25
  Hydrophobic surface: 452.397  Hydrophilic surface: 159.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.