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PUBCHEM-ZINC03075441

 MMsINC code: MMs02990040
Type: Neutral
Formula: C14H30NO4P
SMILES:   P(OC(CC)C)(OC(CC)C)(=O)CC(=O)N(CC)CC
InChI:   InChI=1/C14H30NO4P/c1-7-12(5)18-20(17,19-13(6)8-2)11-14(16)15(9-3)10-4/h12-13H,7-11H2,1-6H3/t12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=18.5681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.371 g/mol  logS: -2.04476  SlogP: 2.6079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197952  Sterimol/B1: 2.19181  Sterimol/B2: 3.5529  Sterimol/B3: 6.20606
  Sterimol/B4: 7.4384  Sterimol/L: 14.3123 
 
 Surface and Volume Properties
  Accessible surface: 556.584  Positive charged surface: 411.086  Negative charged surface: 145.498  Volume: 318.75
  Hydrophobic surface: 426.856  Hydrophilic surface: 129.728
 
 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.