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PUBCHEM-ZINC02536671

 MMsINC code: MMs02896354
Type: Neutral
Formula: C18H14FNO2
SMILES:   Fc1c2nc(cc(c2ccc1)C(O)=O)-c1ccc(cc1C)C
InChI:   InChI=1/C18H14FNO2/c1-10-6-7-12(11(2)8-10)16-9-14(18(21)22)13-4-3-5-15(19)17(13)20-16/h3-9H,1-2H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.7117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.313 g/mol  logS: -5.58082  SlogP: 4.35594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0539755  Sterimol/B1: 2.74446  Sterimol/B2: 3.92657  Sterimol/B3: 4.91441
  Sterimol/B4: 5.81041  Sterimol/L: 15.0547 
 
 Surface and Volume Properties
  Accessible surface: 511.48  Positive charged surface: 275.609  Negative charged surface: 226.901  Volume: 275.875
  Hydrophobic surface: 412.955  Hydrophilic surface: 98.525
 
 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


MMs02896355
PUBCHEM-ZINC02536671