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PUBCHEM-ZINC05645682

 MMsINC code: MMs03333727
Type: Neutral
Formula: C16H34NO4P
SMILES:   P(OCCCCCC)(OCCCCCC)(=O)N1CCOCC1
InChI:   InChI=1/C16H34NO4P/c1-3-5-7-9-13-20-22(18,17-11-15-19-16-12-17)21-14-10-8-6-4-2/h3-16H2,1-2H3

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Potential Energy
Epot(MMFF94)=-1.12134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.425 g/mol  logS: -3.82501  SlogP: 3.5503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416128  Sterimol/B1: 2.52329  Sterimol/B2: 3.58812  Sterimol/B3: 4.48369
  Sterimol/B4: 8.75267  Sterimol/L: 21.8311 
 
 Surface and Volume Properties
  Accessible surface: 676.978  Positive charged surface: 547.989  Negative charged surface: 128.989  Volume: 349.125
  Hydrophobic surface: 582.4  Hydrophilic surface: 94.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.