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PUBCHEM-ZINC00398379

 MMsINC code: MMs02674696
Type: Neutral
Formula: C13H7Cl3FNO2
SMILES:   Clc1cc(F)ccc1OC(=O)Nc1cc(Cl)c(Cl)cc1
InChI:   InChI=1/C13H7Cl3FNO2/c14-9-3-2-8(6-10(9)15)18-13(19)20-12-4-1-7(17)5-11(12)16/h1-6H,(H,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.3315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.561 g/mol  logS: -5.89397  SlogP: 5.3968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0709293  Sterimol/B1: 3.11618  Sterimol/B2: 3.54947  Sterimol/B3: 3.63747
  Sterimol/B4: 5.30009  Sterimol/L: 15.5851 
 
 Surface and Volume Properties
  Accessible surface: 509.443  Positive charged surface: 169.783  Negative charged surface: 339.66  Volume: 254.25
  Hydrophobic surface: 463.546  Hydrophilic surface: 45.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.