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PUBCHEM-ZINC05442445

 MMsINC code: MMs03270139
Type: Neutral
Formula: C14H32O6P2
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(P(OC(C)C)(OC(C)C)=O)C
InChI:   InChI=1/C14H32O6P2/c1-10(2)17-21(15,18-11(3)4)14(9)22(16,19-12(5)6)20-13(7)8/h10-14H,1-9H3

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Potential Energy
Epot(MMFF94)=-3.38792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.352 g/mol  logS: -2.45784  SlogP: 3.2782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.305784  Sterimol/B1: 2.29731  Sterimol/B2: 5.41317  Sterimol/B3: 6.11314
  Sterimol/B4: 7.37384  Sterimol/L: 13.9343 
 
 Surface and Volume Properties
  Accessible surface: 626.847  Positive charged surface: 428.7  Negative charged surface: 198.146  Volume: 352
  Hydrophobic surface: 427.249  Hydrophilic surface: 199.598
 
 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.