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CHEMBRIDGE-ZINC00459097

 MMsINC code: MMs00622283
Type: Neutral
Formula: C18H18FNO4
SMILES:   Fc1cc(N\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1
InChI:   InChI=1/C18H18FNO4/c1-22-16-9-12(10-17(23-2)18(16)24-3)15(21)7-8-20-14-6-4-5-13(19)11-14/h4-11,20H,1-3H3/b8-7+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.7 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.343 g/mol  logS: -3.99928  SlogP: 3.66  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0119255  Sterimol/B1: 2.12782  Sterimol/B2: 2.47111  Sterimol/B3: 3.12731
  Sterimol/B4: 9.37765  Sterimol/L: 18.4 
 
 Surface and Volume Properties
  Accessible surface: 604.925  Positive charged surface: 401.27  Negative charged surface: 203.655  Volume: 307.5
  Hydrophobic surface: 530.781  Hydrophilic surface: 74.144
 
 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


MMs00622284
CHEMBRIDGE-ZINC00459097