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PUBCHEM-ZINC03157134

 MMsINC code: MMs03002669
Type: Neutral
Formula: C12H29O4P3
SMILES:   P(P(P(OC(C)C)(=O)C)C(C)(C)C)(OC(C)C)(=O)C
InChI:   InChI=1/C12H29O4P3/c1-10(2)15-18(8,13)17(12(5,6)7)19(9,14)16-11(3)4/h10-11H,1-9H3/t18-,19-/m1/s1

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Potential Energy
Epot(MMFF94)=15.3106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.282 g/mol  logS: -1.29861  SlogP: 3.6222  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.110925  Sterimol/B1: 3.17603  Sterimol/B2: 4.42983  Sterimol/B3: 4.6441
  Sterimol/B4: 5.08542  Sterimol/L: 15.3689 
 
 Surface and Volume Properties
  Accessible surface: 548.113  Positive charged surface: 348.6  Negative charged surface: 199.513  Volume: 324.125
  Hydrophobic surface: 347.199  Hydrophilic surface: 200.914
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.