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CHEMBRIDGE-ZINC04662387

 MMsINC code: MMs00775186
Type: Neutral
Formula: C16H14ClNO4
SMILES:   Clc1cc(C(=O)NCc2ccc(cc2)C(O)=O)c(OC)cc1
InChI:   InChI=1/C16H14ClNO4/c1-22-14-7-6-12(17)8-13(14)15(19)18-9-10-2-4-11(5-3-10)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.744 g/mol  logS: -4.05298  SlogP: 3.2432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490717  Sterimol/B1: 2.55752  Sterimol/B2: 3.47453  Sterimol/B3: 3.83665
  Sterimol/B4: 7.87428  Sterimol/L: 16.583 
 
 Surface and Volume Properties
  Accessible surface: 561.402  Positive charged surface: 317.374  Negative charged surface: 244.028  Volume: 285.125
  Hydrophobic surface: 418.627  Hydrophilic surface: 142.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00775187
CHEMBRIDGE-ZINC04662387