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MAYBRIDGE-ZINC00114537

 MMsINC code: MMs02134021
Type: Neutral
Formula: C17H15FN2O2
SMILES:   Fc1cc(NC(=O)c2[nH]c3c(c2)cc(OC)cc3)ccc1C
InChI:   InChI=1/C17H15FN2O2/c1-10-3-4-12(9-14(10)18)19-17(21)16-8-11-7-13(22-2)5-6-15(11)20-16/h3-9,20H,1-2H3,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.9929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.317 g/mol  logS: -4.30352  SlogP: 3.87632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00916521  Sterimol/B1: 2.36111  Sterimol/B2: 2.76247  Sterimol/B3: 3.7836
  Sterimol/B4: 4.03689  Sterimol/L: 19.2186 
 
 Surface and Volume Properties
  Accessible surface: 551.818  Positive charged surface: 326.043  Negative charged surface: 220.554  Volume: 280.125
  Hydrophobic surface: 474.51  Hydrophilic surface: 77.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.