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CHEMBRIDGE-ZINC00137558

 MMsINC code: MMs00590851
Type: Neutral
Formula: C17H19FN2O3
SMILES:   Fc1ccc(NC(=O)NCCc2cc(OC)c(OC)cc2)cc1
InChI:   InChI=1/C17H19FN2O3/c1-22-15-8-3-12(11-16(15)23-2)9-10-19-17(21)20-14-6-4-13(18)5-7-14/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.0813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.348 g/mol  logS: -3.6533  SlogP: 3.20707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655597  Sterimol/B1: 2.22502  Sterimol/B2: 3.0022  Sterimol/B3: 4.9094
  Sterimol/B4: 7.31537  Sterimol/L: 18.8484 
 
 Surface and Volume Properties
  Accessible surface: 595.661  Positive charged surface: 413.844  Negative charged surface: 181.816  Volume: 301.625
  Hydrophobic surface: 510.234  Hydrophilic surface: 85.427
 
 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: no related molecules available.