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PUBCHEM-ZINC03742547

 MMsINC code: MMs03067456
Type: Neutral
Formula: C18H16FNO2
SMILES:   Fc1c2[nH]c(-c3cc(ccc3C)C)c(c2ccc1)CC(O)=O
InChI:   InChI=1/C18H16FNO2/c1-10-6-7-11(2)13(8-10)17-14(9-16(21)22)12-4-3-5-15(19)18(12)20-17/h3-8,20H,9H2,1-2H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.4293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.329 g/mol  logS: -5.34365  SlogP: 4.21791  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.218543  Sterimol/B1: 2.71271  Sterimol/B2: 3.46553  Sterimol/B3: 6.41085
  Sterimol/B4: 6.85171  Sterimol/L: 13.9944 
 
 Surface and Volume Properties
  Accessible surface: 520.625  Positive charged surface: 292.664  Negative charged surface: 224.356  Volume: 283.875
  Hydrophobic surface: 415.415  Hydrophilic surface: 105.21
 
 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


MMs03067457
PUBCHEM-ZINC03742547