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PUBCHEM-ZINC02536654

 MMsINC code: MMs02896344
Type: Neutral
Formula: C17H12FNO3
SMILES:   Fc1c2nc(cc(c2ccc1)C(O)=O)-c1cc(OC)ccc1
InChI:   InChI=1/C17H12FNO3/c1-22-11-5-2-4-10(8-11)15-9-13(17(20)21)12-6-3-7-14(18)16(12)19-15/h2-9H,1H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.285 g/mol  logS: -4.68336  SlogP: 3.7477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00384211  Sterimol/B1: 2.33953  Sterimol/B2: 2.40707  Sterimol/B3: 3.95834
  Sterimol/B4: 6.97265  Sterimol/L: 15.0304 
 
 Surface and Volume Properties
  Accessible surface: 505.35  Positive charged surface: 286.964  Negative charged surface: 207.29  Volume: 267.5
  Hydrophobic surface: 386.602  Hydrophilic surface: 118.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02896345
PUBCHEM-ZINC02536654