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NCID-ZINC01753349

 MMsINC code: MMs02363237
Type: Neutral
Formula: C15H13FN2O2
SMILES:   Fc1cc(NC(=O)Nc2cc(ccc2)C(=O)C)ccc1
InChI:   InChI=1/C15H13FN2O2/c1-10(19)11-4-2-6-13(8-11)17-15(20)18-14-7-3-5-12(16)9-14/h2-9H,1H3,(H2,17,18,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.8215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.279 g/mol  logS: -3.8593  SlogP: 3.6723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508174  Sterimol/B1: 2.5247  Sterimol/B2: 2.89789  Sterimol/B3: 3.92317
  Sterimol/B4: 6.8931  Sterimol/L: 15.0835 
 
 Surface and Volume Properties
  Accessible surface: 499.504  Positive charged surface: 273.776  Negative charged surface: 225.728  Volume: 251.375
  Hydrophobic surface: 398.279  Hydrophilic surface: 101.225
 
 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.