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PUBCHEM-ZINC06387346

 MMsINC code: MMs03700699
Type: Neutral
Formula: C11H22NO7P
SMILES:   P(OCC)(OCC)(=O)CN(CC(OC)=O)CC(OC)=O
InChI:   InChI=1/C11H22NO7P/c1-5-18-20(15,19-6-2)9-12(7-10(13)16-3)8-11(14)17-4/h5-9H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.271 g/mol  logS: -0.68553  SlogP: -0.2122  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.203794  Sterimol/B1: 2.21185  Sterimol/B2: 4.26525  Sterimol/B3: 6.23728
  Sterimol/B4: 6.37787  Sterimol/L: 15.5245 
 
 Surface and Volume Properties
  Accessible surface: 580.839  Positive charged surface: 451.44  Negative charged surface: 129.399  Volume: 279
  Hydrophobic surface: 435.278  Hydrophilic surface: 145.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.