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APOLLO-ZINC02507500

 MMsINC code: MMs00052339
Type: Neutral
Formula: C5H14O6P2
SMILES:   P(OCC)(O)(=O)CP(OCC)(O)=O
InChI:   InChI=1/C5H14O6P2/c1-3-10-12(6,7)5-13(8,9)11-4-2/h3-5H2,1-2H3,(H,6,7)(H,8,9)

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Potential Energy
Epot(MMFF94)=-44.2879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.109 g/mol  logS: 0.69822  SlogP: -0.7527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549538  Sterimol/B1: 2.48443  Sterimol/B2: 2.57056  Sterimol/B3: 3.99211
  Sterimol/B4: 4.62414  Sterimol/L: 15.2635 
 
 Surface and Volume Properties
  Accessible surface: 438.994  Positive charged surface: 287.883  Negative charged surface: 151.111  Volume: 189.625
  Hydrophobic surface: 249.472  Hydrophilic surface: 189.522
 
 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.