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APOLLO-ZINC04277125

 MMsINC code: MMs00057550
Type: Neutral
Formula: C13H24F3O6P
SMILES:   P(OC(C(OCC)=O)C(F)(F)F)(OCCCC)(OCCCC)=O
InChI:   InChI=1/C13H24F3O6P/c1-4-7-9-20-23(18,21-10-8-5-2)22-11(13(14,15)16)12(17)19-6-3/h11H,4-10H2,1-3H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.07044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.297 g/mol  logS: -3.77271  SlogP: 3.5882  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0608462  Sterimol/B1: 2.44518  Sterimol/B2: 4.88932  Sterimol/B3: 5.11546
  Sterimol/B4: 7.90633  Sterimol/L: 17.8616 
 
 Surface and Volume Properties
  Accessible surface: 639.382  Positive charged surface: 397.577  Negative charged surface: 241.805  Volume: 313.375
  Hydrophobic surface: 410.618  Hydrophilic surface: 228.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.