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PUBCHEM-ZINC05462672

 MMsINC code: MMs03276839
Type: Neutral
Formula: C8H21NO6P2
SMILES:   P(OCC)(OCC)(=O)N=P(OCC)(OCC)O
InChI:   InChI=1/C8H21NO6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h10H,5-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=-74.7579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.205 g/mol  logS: -0.98578  SlogP: 2.2139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264351  Sterimol/B1: 2.18915  Sterimol/B2: 4.60907  Sterimol/B3: 6.45361
  Sterimol/B4: 7.01239  Sterimol/L: 12.4733 
 
 Surface and Volume Properties
  Accessible surface: 528.747  Positive charged surface: 365.89  Negative charged surface: 162.857  Volume: 255.5
  Hydrophobic surface: 338.261  Hydrophilic surface: 190.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 2  Basic groups: 2
  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.