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PUBCHEM-ZINC05524096

 MMsINC code: MMs03297019
Type: Neutral
Formula: C14H29O5P
SMILES:   P(OCC)(OCC)(=O)C(CCCCCC)C(OCC)=O
InChI:   InChI=1/C14H29O5P/c1-5-9-10-11-12-13(14(15)17-6-2)20(16,18-7-3)19-8-4/h13H,5-12H2,1-4H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=4.9419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.355 g/mol  logS: -3.59104  SlogP: 3.0844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745698  Sterimol/B1: 3.41928  Sterimol/B2: 3.99578  Sterimol/B3: 5.10692
  Sterimol/B4: 6.0629  Sterimol/L: 15.8402 
 
 Surface and Volume Properties
  Accessible surface: 603.364  Positive charged surface: 448.522  Negative charged surface: 154.842  Volume: 311.75
  Hydrophobic surface: 458.732  Hydrophilic surface: 144.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.