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NCID-ZINC04972280

 MMsINC code: MMs02420976
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-/m1/s1

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Potential Energy
Epot(MMFF94)=5.94462 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: 0.0550441  Sterimol/B1: 2.87333  Sterimol/B2: 3.98498  Sterimol/B3: 5.38463
  Sterimol/B4: 7.01827  Sterimol/L: 15.7798 
 
 Surface and Volume Properties
  Accessible surface: 619.121  Positive charged surface: 463.611  Negative charged surface: 155.51  Volume: 314.125
  Hydrophobic surface: 474.69  Hydrophilic surface: 144.431
 
 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.