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PUBCHEM-ZINC03757101

 MMsINC code: MMs03071658
Type: Neutral
Formula: C16H7Cl3FNO2
SMILES:   Clc1cc(Cl)ccc1-c1nc2c(cc(Cl)cc2F)c(c1)C(O)=O
InChI:   InChI=1/C16H7Cl3FNO2/c17-7-1-2-9(12(19)4-7)14-6-11(16(22)23)10-3-8(18)5-13(20)15(10)21-14/h1-6H,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.2587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.594 g/mol  logS: -6.83585  SlogP: 5.6993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0411976  Sterimol/B1: 2.10143  Sterimol/B2: 4.6124  Sterimol/B3: 5.28296
  Sterimol/B4: 5.60443  Sterimol/L: 16.6244 
 
 Surface and Volume Properties
  Accessible surface: 533.628  Positive charged surface: 176.409  Negative charged surface: 348.233  Volume: 286.625
  Hydrophobic surface: 431.592  Hydrophilic surface: 102.036
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03071659
PUBCHEM-ZINC03757101