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PUBCHEM-ZINC01937829

 MMsINC code: MMs02832745
Type: Neutral
Formula: C17H9Cl2FN2O4
SMILES:   ClC1=C(Nc2ccc(cc2)C(O)=O)C(=O)N(C1=O)c1cc(Cl)c(F)cc1
InChI:   InChI=1/C17H9Cl2FN2O4/c18-11-7-10(5-6-12(11)20)22-15(23)13(19)14(16(22)24)21-9-3-1-8(2-4-9)17(25)26/h1-7,21H,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.8919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.173 g/mol  logS: -6.0088  SlogP: 3.7219  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0529485  Sterimol/B1: 2.37974  Sterimol/B2: 4.49971  Sterimol/B3: 4.795
  Sterimol/B4: 7.14525  Sterimol/L: 16.2915 
 
 Surface and Volume Properties
  Accessible surface: 573.037  Positive charged surface: 222.152  Negative charged surface: 350.886  Volume: 308
  Hydrophobic surface: 402.781  Hydrophilic surface: 170.256
 
 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


MMs02832746
PUBCHEM-ZINC01937829