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PEAKDALE-ZINC01497491

 MMsINC code: MMs02610479
Type: Neutral
Formula: C19H11FN2O3
SMILES:   Fc1ccc(cc1)-c1cnc(Oc2cc3OC(=O)C=Cc3cc2)nc1
InChI:   InChI=1/C19H11FN2O3/c20-15-5-1-12(2-6-15)14-10-21-19(22-11-14)24-16-7-3-13-4-8-18(23)25-17(13)9-16/h1-11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.2862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.306 g/mol  logS: -6.77967  SlogP: 4.0072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047698  Sterimol/B1: 2.36028  Sterimol/B2: 3.0694  Sterimol/B3: 4.96504
  Sterimol/B4: 5.80794  Sterimol/L: 17.3375 
 
 Surface and Volume Properties
  Accessible surface: 556.163  Positive charged surface: 288.781  Negative charged surface: 256.259  Volume: 292.875
  Hydrophobic surface: 457.705  Hydrophilic surface: 98.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.