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NCID-ZINC01690984

 MMsINC code: MMs02323156
Type: Neutral
Formula: C8H20NO3P
SMILES:   P(OCCCC)(OCCCC)(=O)N
InChI:   InChI=1/C8H20NO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H2,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-38.9167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.226 g/mol  logS: -1.7857  SlogP: 1.6164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359531  Sterimol/B1: 2.5076  Sterimol/B2: 2.80021  Sterimol/B3: 3.67197
  Sterimol/B4: 5.54269  Sterimol/L: 17.0784 
 
 Surface and Volume Properties
  Accessible surface: 480.408  Positive charged surface: 357.004  Negative charged surface: 123.404  Volume: 209
  Hydrophobic surface: 328.749  Hydrophilic surface: 151.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.