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PUBCHEM-ZINC05859614

 MMsINC code: MMs03421508
Type: Neutral
Formula: C8H20NO4P
SMILES:   P(OCCN(C)C)(OCC)(OCC)=O
InChI:   InChI=1/C8H20NO4P/c1-5-11-14(10,12-6-2)13-8-7-9(3)4/h5-8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.99723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.225 g/mol  logS: -0.41825  SlogP: 0.6755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142809  Sterimol/B1: 2.02018  Sterimol/B2: 3.59924  Sterimol/B3: 4.32221
  Sterimol/B4: 7.69396  Sterimol/L: 13.3044 
 
 Surface and Volume Properties
  Accessible surface: 474.299  Positive charged surface: 374.306  Negative charged surface: 99.9933  Volume: 221.125
  Hydrophobic surface: 370.475  Hydrophilic surface: 103.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs03421509
PUBCHEM-ZINC05859614