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NCID-ZINC01625049

 MMsINC code: MMs02271903
Type: Neutral
Formula: C15H20FO5P
SMILES:   P(OCC)(OCC)(=O)\C(=C\c1ccc(F)cc1)\C(OCC)=O
InChI:   InChI=1/C15H20FO5P/c1-4-19-15(17)14(22(18,20-5-2)21-6-3)11-12-7-9-13(16)10-8-12/h7-11H,4-6H2,1-3H3/b14-11-

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Potential Energy
Epot(MMFF94)=72.2639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.292 g/mol  logS: -3.63543  SlogP: 2.9256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.275418  Sterimol/B1: 4.03738  Sterimol/B2: 5.39239  Sterimol/B3: 5.3967
  Sterimol/B4: 6.46274  Sterimol/L: 14.6361 
 
 Surface and Volume Properties
  Accessible surface: 567.948  Positive charged surface: 364.113  Negative charged surface: 203.835  Volume: 303.625
  Hydrophobic surface: 441.463  Hydrophilic surface: 126.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.