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PUBCHEM-ZINC05384510

 MMsINC code: MMs03254187
Type: Neutral
Formula: C11H27NO4P2
SMILES:   P(OC(C)C)(=O)(CN(CP(OC(C)C)(=O)C)C)C
InChI:   InChI=1/C11H27NO4P2/c1-10(2)15-17(6,13)8-12(5)9-18(7,14)16-11(3)4/h10-11H,8-9H2,1-7H3/t17-,18+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.288 g/mol  logS: 0.25917  SlogP: 1.3586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122158  Sterimol/B1: 2.19944  Sterimol/B2: 2.39748  Sterimol/B3: 5.48449
  Sterimol/B4: 7.02213  Sterimol/L: 14.8473 
 
 Surface and Volume Properties
  Accessible surface: 563.466  Positive charged surface: 401.695  Negative charged surface: 161.771  Volume: 294.5
  Hydrophobic surface: 401.695  Hydrophilic surface: 161.771
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.