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ASINEX-ZINC04832729

 MMsINC code: MMs00375711
Type: Neutral
Formula: C13H23F6O3P
SMILES:   P(OC(CCCCCC)C(F)(F)F)(OC(CC)C(F)(F)F)(=O)C
InChI:   InChI=1/C13H23F6O3P/c1-4-6-7-8-9-11(13(17,18)19)22-23(3,20)21-10(5-2)12(14,15)16/h10-11H,4-9H2,1-3H3/t10-,11-,23+/m0/s1

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Potential Energy
Epot(MMFF94)=38.9007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.286 g/mol  logS: -4.8962  SlogP: 5.8543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16472  Sterimol/B1: 3.09787  Sterimol/B2: 4.35854  Sterimol/B3: 4.7737
  Sterimol/B4: 7.84966  Sterimol/L: 13.9695 
 
 Surface and Volume Properties
  Accessible surface: 584.717  Positive charged surface: 315.007  Negative charged surface: 269.71  Volume: 306.5
  Hydrophobic surface: 328.731  Hydrophilic surface: 255.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.