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IBS-ZINC04836929

 MMsINC code: MMs01900048
Type: Neutral
Formula: C15H7F5O4
SMILES:   Fc1c(\C=C\C(=O)C=2C(OC(=CC=2O)C)=O)c(F)c(F)c(F)c1F
InChI:   InChI=1/C15H7F5O4/c1-5-4-8(22)9(15(23)24-5)7(21)3-2-6-10(16)12(18)14(20)13(19)11(6)17/h2-4,22H,1H3/b3-2+

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Potential Energy
Epot(MMFF94)=77.5835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.207 g/mol  logS: -5.31595  SlogP: 3.2371  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0290928  Sterimol/B1: 2.58558  Sterimol/B2: 2.61545  Sterimol/B3: 3.44315
  Sterimol/B4: 5.87085  Sterimol/L: 15.9233 
 
 Surface and Volume Properties
  Accessible surface: 506.282  Positive charged surface: 222.76  Negative charged surface: 283.521  Volume: 253.875
  Hydrophobic surface: 386.688  Hydrophilic surface: 119.594
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.