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PUBCHEM-ZINC01532898

 MMsINC code: MMs02813787
Type: Neutral
Formula: C5H14NO6P
SMILES:   P(OCC(O)CO)(OCCN)(O)=O
InChI:   InChI=1/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-13.7962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.142 g/mol  logS: 1.19296  SlogP: -2.6383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515587  Sterimol/B1: 2.56194  Sterimol/B2: 3.36354  Sterimol/B3: 4.06599
  Sterimol/B4: 4.53284  Sterimol/L: 14.3705 
 
 Surface and Volume Properties
  Accessible surface: 431.241  Positive charged surface: 317.72  Negative charged surface: 113.521  Volume: 176.375
  Hydrophobic surface: 177.658  Hydrophilic surface: 253.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  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.