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PUBCHEM-ZINC01551175

 MMsINC code: MMs02814247
Type: Neutral
Formula: C8H19NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)NC1CCCCCC1
InChI:   InChI=1/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=-13.2218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.189 g/mol  logS: 0.55871  SlogP: -1.2026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133287  Sterimol/B1: 2.2726  Sterimol/B2: 3.76372  Sterimol/B3: 4.47087
  Sterimol/B4: 4.99463  Sterimol/L: 12.1364 
 
 Surface and Volume Properties
  Accessible surface: 446.465  Positive charged surface: 267.427  Negative charged surface: 179.038  Volume: 230.5
  Hydrophobic surface: 219.563  Hydrophilic surface: 226.902
 
 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.