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PUBCHEM-ZINC03604641

 MMsINC code: MMs03020048
Type: Neutral
Formula: C6H16O6P2
SMILES:   P(OCC)(O)(=O)CCP(OCC)(O)=O
InChI:   InChI=1/C6H16O6P2/c1-3-11-13(7,8)5-6-14(9,10)12-4-2/h3-6H2,1-2H3,(H,7,8)(H,9,10)

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Potential Energy
Epot(MMFF94)=-41.4796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.136 g/mol  logS: 0.40372  SlogP: -0.7102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451605  Sterimol/B1: 3.23675  Sterimol/B2: 3.38038  Sterimol/B3: 3.90444
  Sterimol/B4: 4.51681  Sterimol/L: 16.5397 
 
 Surface and Volume Properties
  Accessible surface: 473.86  Positive charged surface: 312.888  Negative charged surface: 160.971  Volume: 205.375
  Hydrophobic surface: 267.958  Hydrophilic surface: 205.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.