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PUBCHEM-ZINC05316410

 MMsINC code: MMs03238319
Type: Neutral
Formula: C13H30O6P2
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(CP(OCC)(OCC)=O)C
InChI:   InChI=1/C13H30O6P2/c1-8-16-20(14,17-9-2)10-13(7)21(15,18-11(3)4)19-12(5)6/h11-13H,8-10H2,1-7H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=11.0709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.325 g/mol  logS: -1.92269  SlogP: 2.5437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0935916  Sterimol/B1: 2.06846  Sterimol/B2: 2.99291  Sterimol/B3: 4.47044
  Sterimol/B4: 9.34591  Sterimol/L: 15.9302 
 
 Surface and Volume Properties
  Accessible surface: 632.222  Positive charged surface: 440.511  Negative charged surface: 191.711  Volume: 331.875
  Hydrophobic surface: 439.82  Hydrophilic surface: 192.402
 
 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.