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PUBCHEM-ZINC03157135

 MMsINC code: MMs03002670
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-/m0/s1

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Potential Energy
Epot(MMFF94)=14.6161 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: 0.110559  Sterimol/B1: 2.81949  Sterimol/B2: 4.05775  Sterimol/B3: 4.08463
  Sterimol/B4: 6.69451  Sterimol/L: 14.3603 
 
 Surface and Volume Properties
  Accessible surface: 550.172  Positive charged surface: 355.042  Negative charged surface: 195.129  Volume: 323.875
  Hydrophobic surface: 354.752  Hydrophilic surface: 195.42
 
 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.