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CHEMBRIDGE-ZINC00433254

 MMsINC code: MMs00613409
Type: Neutral
Formula: C14H10ClFN2O2
SMILES:   Clc1cccc(F)c1\C=N\NC(=O)c1ccc(O)cc1
InChI:   InChI=1/C14H10ClFN2O2/c15-12-2-1-3-13(16)11(12)8-17-18-14(20)9-4-6-10(19)7-5-9/h1-8,19H,(H,18,20)/b17-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.3419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.697 g/mol  logS: -4.20547  SlogP: 2.9486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00119773  Sterimol/B1: 2.097  Sterimol/B2: 2.23379  Sterimol/B3: 3.913
  Sterimol/B4: 4.50372  Sterimol/L: 17.0458 
 
 Surface and Volume Properties
  Accessible surface: 496.291  Positive charged surface: 248.836  Negative charged surface: 247.455  Volume: 249.25
  Hydrophobic surface: 382.42  Hydrophilic surface: 113.871
 
 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.