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PUBCHEM-ZINC03157140

 MMsINC code: MMs03002672
Type: Neutral
Formula: C11H26O6P2
SMILES:   P(OCC)(OCC)(=O)C(CP(OCC)(OCC)=O)C
InChI:   InChI=1/C11H26O6P2/c1-6-14-18(12,15-7-2)10-11(5)19(13,16-8-3)17-9-4/h11H,6-10H2,1-5H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=7.92426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.271 g/mol  logS: -1.26827  SlogP: 1.7667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126512  Sterimol/B1: 2.15081  Sterimol/B2: 2.54311  Sterimol/B3: 5.70059
  Sterimol/B4: 7.34497  Sterimol/L: 15.9138 
 
 Surface and Volume Properties
  Accessible surface: 597.679  Positive charged surface: 423.344  Negative charged surface: 174.335  Volume: 296.625
  Hydrophobic surface: 425.179  Hydrophilic surface: 172.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.