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PUBCHEM-ZINC05962676

 MMsINC code: MMs03462939
Type: Neutral
Formula: C5H15NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)NCC(C)C
InChI:   InChI=1/C5H15NO6P2/c1-4(2)3-6-5(13(7,8)9)14(10,11)12/h4-6H,3H2,1-2H3,(H2,7,8,9)(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-27.2939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.124 g/mol  logS: 1.81432  SlogP: -2.2694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145193  Sterimol/B1: 2.25988  Sterimol/B2: 4.21731  Sterimol/B3: 4.35695
  Sterimol/B4: 4.57492  Sterimol/L: 11.678 
 
 Surface and Volume Properties
  Accessible surface: 406.224  Positive charged surface: 233.218  Negative charged surface: 173.007  Volume: 194
  Hydrophobic surface: 142.086  Hydrophilic surface: 264.138
 
 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.