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PUBCHEM-ZINC03173047

 MMsINC code: MMs03005033
Type: Neutral
Formula: C8H19NO6P2
SMILES:   P(O)(O)(=O)CN(CP(O)(O)=O)C1CCCCC1
InChI:   InChI=1/C8H19NO6P2/c10-16(11,12)6-9(7-17(13,14)15)8-4-2-1-3-5-8/h8H,1-7H2,(H2,10,11,12)(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=-4.99987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.189 g/mol  logS: 0.96847  SlogP: -1.2489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17268  Sterimol/B1: 2.99004  Sterimol/B2: 3.72761  Sterimol/B3: 4.25455
  Sterimol/B4: 5.81379  Sterimol/L: 12.3497 
 
 Surface and Volume Properties
  Accessible surface: 450.137  Positive charged surface: 302.956  Negative charged surface: 147.182  Volume: 232.625
  Hydrophobic surface: 225.417  Hydrophilic surface: 224.72
 
 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.