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CHEMDIV-ZINC05134907

 MMsINC code: MMs00990702
Type: Neutral
Formula: C19H17FN2O4
SMILES:   Fc1ccc(cc1)-c1onc(c1)C(=O)NCc1cccc(OC)c1OC
InChI:   InChI=1/C19H17FN2O4/c1-24-16-5-3-4-13(18(16)25-2)11-21-19(23)15-10-17(26-22-15)12-6-8-14(20)9-7-12/h3-10H,11H2,1-2H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.9373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.353 g/mol  logS: -4.8891  SlogP: 3.6943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465658  Sterimol/B1: 2.33893  Sterimol/B2: 3.86051  Sterimol/B3: 4.16975
  Sterimol/B4: 6.40021  Sterimol/L: 19.629 
 
 Surface and Volume Properties
  Accessible surface: 615.429  Positive charged surface: 371.954  Negative charged surface: 243.475  Volume: 324.625
  Hydrophobic surface: 525.906  Hydrophilic surface: 89.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.