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CHEMBRIDGE-ZINC02464313

 MMsINC code: MMs00709589
Type: Ionized
Formula: C9H18NO4P-2
SMILES:   P(=O)([O-])(CN(CCCC)CCC(=O)[O-])C
InChI:   InChI=1/C9H20NO4P/c1-3-4-6-10(7-5-9(11)12)8-15(2,13)14/h3-8H2,1-2H3,(H,11,12)(H,13,14)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.5352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.22 g/mol  logS: 0.13104  SlogP: -1.616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106921  Sterimol/B1: 2.74994  Sterimol/B2: 3.793  Sterimol/B3: 4.70596
  Sterimol/B4: 5.24643  Sterimol/L: 13.8651 
 
 Surface and Volume Properties
  Accessible surface: 448.136  Positive charged surface: 273.334  Negative charged surface: 174.803  Volume: 221.5
  Hydrophobic surface: 250.759  Hydrophilic surface: 197.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 4  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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Parent related molecule:


MMs00709588
CHEMBRIDGE-ZINC02464313