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PUBCHEM-ZINC05973505

 MMsINC code: MMs03469080
Type: Neutral
Formula: C5H15NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)NCCCC
InChI:   InChI=1/C5H15NO6P2/c1-2-3-4-6-5(13(7,8)9)14(10,11)12/h5-6H,2-4H2,1H3,(H2,7,8,9)(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-34.177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.124 g/mol  logS: 1.50087  SlogP: -2.1253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804469  Sterimol/B1: 3.1485  Sterimol/B2: 3.50142  Sterimol/B3: 4.4029
  Sterimol/B4: 4.7166  Sterimol/L: 12.7366 
 
 Surface and Volume Properties
  Accessible surface: 429.961  Positive charged surface: 257.97  Negative charged surface: 171.991  Volume: 196.125
  Hydrophobic surface: 160.894  Hydrophilic surface: 269.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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.