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CHEMDIV-ZINC03651443

 MMsINC code: MMs00914119
Type: Neutral
Formula: C14H9F4NO2
SMILES:   Fc1c(C(O)=O)c(Nc2cc(ccc2)C)c(F)c(F)c1F
InChI:   InChI=1/C14H9F4NO2/c1-6-3-2-4-7(5-6)19-13-8(14(20)21)9(15)10(16)11(17)12(13)18/h2-5,19H,1H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.223 g/mol  logS: -4.62844  SlogP: 3.99322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146853  Sterimol/B1: 2.83891  Sterimol/B2: 4.54059  Sterimol/B3: 4.83795
  Sterimol/B4: 4.8864  Sterimol/L: 13.6056 
 
 Surface and Volume Properties
  Accessible surface: 472.742  Positive charged surface: 217.249  Negative charged surface: 255.494  Volume: 235.375
  Hydrophobic surface: 372.943  Hydrophilic surface: 99.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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


MMs00914120
CHEMDIV-ZINC03651443