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CHEMDIV-ZINC02493635

 MMsINC code: MMs00881463
Type: Neutral
Formula: C19H16ClFN2O3
SMILES:   Clc1cc2ncc(C(OCC)=O)c(Nc3ccc(F)cc3)c2cc1OC
InChI:   InChI=1/C19H16ClFN2O3/c1-3-26-19(24)14-10-22-16-9-15(20)17(25-2)8-13(16)18(14)23-12-6-4-11(21)5-7-12/h4-10H,3H2,1-2H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.799 g/mol  logS: -5.38233  SlogP: 4.9562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10162  Sterimol/B1: 3.49182  Sterimol/B2: 4.39161  Sterimol/B3: 5.79871
  Sterimol/B4: 6.89953  Sterimol/L: 15.9034 
 
 Surface and Volume Properties
  Accessible surface: 596.027  Positive charged surface: 369.322  Negative charged surface: 223.937  Volume: 329.375
  Hydrophobic surface: 510.603  Hydrophilic surface: 85.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.