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PUBCHEM-ZINC05647701

 MMsINC code: MMs03334510
Type: Neutral
Formula: C5H15NO6P2
SMILES:   P(O)(O)(=O)CN(CCC)CP(O)(O)=O
InChI:   InChI=1/C5H15NO6P2/c1-2-3-6(4-13(7,8)9)5-14(10,11)12/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-20.0446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.124 g/mol  logS: 1.91063  SlogP: -2.1716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208195  Sterimol/B1: 3.21198  Sterimol/B2: 3.56078  Sterimol/B3: 5.42475
  Sterimol/B4: 5.50474  Sterimol/L: 10.5315 
 
 Surface and Volume Properties
  Accessible surface: 417.655  Positive charged surface: 261.641  Negative charged surface: 156.015  Volume: 195.625
  Hydrophobic surface: 155.941  Hydrophilic surface: 261.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.