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CHEMDIV-ZINC00423594

 MMsINC code: MMs00850461
Type: Neutral
Formula: C18H15FN2O4
SMILES:   Fc1ccc(cc1)-c1onc(c1)C(=O)Nc1ccc(OC)cc1OC
InChI:   InChI=1/C18H15FN2O4/c1-23-13-7-8-14(17(9-13)24-2)20-18(22)15-10-16(25-21-15)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.326 g/mol  logS: -4.94506  SlogP: 3.7502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00923947  Sterimol/B1: 2.03273  Sterimol/B2: 2.45932  Sterimol/B3: 2.97369
  Sterimol/B4: 8.32514  Sterimol/L: 19.6026 
 
 Surface and Volume Properties
  Accessible surface: 590.547  Positive charged surface: 363.452  Negative charged surface: 227.095  Volume: 303.875
  Hydrophobic surface: 501.266  Hydrophilic surface: 89.281
 
 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.