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PUBCHEM-ZINC05840520

 MMsINC code: MMs03410521
Type: Neutral
Formula: C7H17NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)NC1CCCCC1
InChI:   InChI=1/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h6-8H,1-5H2,(H2,9,10,11)(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=-32.4304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.162 g/mol  logS: 1.07393  SlogP: -1.5927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128633  Sterimol/B1: 3.3099  Sterimol/B2: 3.58107  Sterimol/B3: 3.97167
  Sterimol/B4: 4.83187  Sterimol/L: 12.058 
 
 Surface and Volume Properties
  Accessible surface: 433.754  Positive charged surface: 258.78  Negative charged surface: 174.974  Volume: 217.5
  Hydrophobic surface: 205.336  Hydrophilic surface: 228.418
 
 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.