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ASINEX-ZINC04832724

 MMsINC code: MMs00375709
Type: Neutral
Formula: C11H19F6O3P
SMILES:   P(OC(CCCCCC)C(F)(F)F)(OCC(F)(F)F)(=O)C
InChI:   InChI=1/C11H19F6O3P/c1-3-4-5-6-7-9(11(15,16)17)20-21(2,18)19-8-10(12,13)14/h9H,3-8H2,1-2H3/t9-,21-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.1762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.232 g/mol  logS: -4.36722  SlogP: 5.0757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11821  Sterimol/B1: 3.304  Sterimol/B2: 4.1897  Sterimol/B3: 4.7968
  Sterimol/B4: 5.89474  Sterimol/L: 15.8432 
 
 Surface and Volume Properties
  Accessible surface: 548.35  Positive charged surface: 278.066  Negative charged surface: 270.284  Volume: 270.75
  Hydrophobic surface: 284.313  Hydrophilic surface: 264.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.