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PUBCHEM-ZINC03159237

 MMsINC code: MMs03002978
Type: Neutral
Formula: C14H23FNO2P
SMILES:   P(OCCCC)(OCCCC)Nc1cc(F)ccc1
InChI:   InChI=1/C14H23FNO2P/c1-3-5-10-17-19(18-11-6-4-2)16-14-9-7-8-13(15)12-14/h7-9,12,16H,3-6,10-11H2,1-2H3

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Potential Energy
Epot(MMFF94)=22.9471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.315 g/mol  logS: -3.66539  SlogP: 5.0979  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0754357  Sterimol/B1: 2.17678  Sterimol/B2: 3.49025  Sterimol/B3: 4.25356
  Sterimol/B4: 10.2363  Sterimol/L: 16.7616 
 
 Surface and Volume Properties
  Accessible surface: 592.875  Positive charged surface: 413.313  Negative charged surface: 179.562  Volume: 286.625
  Hydrophobic surface: 504.835  Hydrophilic surface: 88.04
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.