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IBS-ZINC02332185

 MMsINC code: MMs01834783
Type: Neutral
Formula: C15H24FO4P
SMILES:   P(OCCCC)(OCCCC)(=O)C(O)c1ccc(F)cc1
InChI:   InChI=1/C15H24FO4P/c1-3-5-11-19-21(18,20-12-6-4-2)15(17)13-7-9-14(16)10-8-13/h7-10,15,17H,3-6,11-12H2,1-2H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=56.7955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.325 g/mol  logS: -3.44085  SlogP: 3.6684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0844178  Sterimol/B1: 2.31759  Sterimol/B2: 3.56601  Sterimol/B3: 3.78085
  Sterimol/B4: 10.0331  Sterimol/L: 16.7129 
 
 Surface and Volume Properties
  Accessible surface: 600.601  Positive charged surface: 395.768  Negative charged surface: 204.833  Volume: 305.5
  Hydrophobic surface: 490.128  Hydrophilic surface: 110.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.