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APOLLO-ZINC03183367

 MMsINC code: MMs00056043
Type: Neutral
Formula: C11H20F3O6P
SMILES:   P(OC(C(OCC)=O)C(F)(F)F)(OC(C)C)(OC(C)C)=O
InChI:   InChI=1/C11H20F3O6P/c1-6-17-10(15)9(11(12,13)14)20-21(16,18-7(2)3)19-8(4)5/h7-9H,6H2,1-5H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=11.5375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.243 g/mol  logS: -2.99315  SlogP: 2.8048  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106413  Sterimol/B1: 2.92588  Sterimol/B2: 5.14008  Sterimol/B3: 5.16089
  Sterimol/B4: 5.33636  Sterimol/L: 15.2405 
 
 Surface and Volume Properties
  Accessible surface: 562.78  Positive charged surface: 317.231  Negative charged surface: 245.549  Volume: 279.875
  Hydrophobic surface: 306.072  Hydrophilic surface: 256.708
 
 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.