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ALFAAESAR-ZINC02149949

 MMsINC code: MMs00022627
Type: Neutral
Formula: C14H32O6P2
SMILES:   P(OC(C)C)(OC(C)C)(=O)CCP(OC(C)C)(OC(C)C)=O
InChI:   InChI=1/C14H32O6P2/c1-11(2)17-21(15,18-12(3)4)9-10-22(16,19-13(5)6)20-14(7)8/h11-14H,9-10H2,1-8H3

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Potential Energy
Epot(MMFF94)=5.31238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.352 g/mol  logS: -2.2499  SlogP: 2.9322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0835944  Sterimol/B1: 2.43793  Sterimol/B2: 2.65237  Sterimol/B3: 4.42368
  Sterimol/B4: 9.43077  Sterimol/L: 16.0365 
 
 Surface and Volume Properties
  Accessible surface: 663.262  Positive charged surface: 444.943  Negative charged surface: 218.319  Volume: 352.75
  Hydrophobic surface: 447.771  Hydrophilic surface: 215.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.