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CHEMBRIDGE-ZINC00753248

 MMsINC code: MMs00643221
Type: Neutral
Formula: C15H10Cl2F3NO2
SMILES:   Clc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F
InChI:   InChI=1/C15H10Cl2F3NO2/c16-9-5-6-13(11(17)7-9)23-8-14(22)21-12-4-2-1-3-10(12)15(18,19)20/h1-7H,8H2,(H,21,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.4698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.15 g/mol  logS: -5.95682  SlogP: 5.3412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156819  Sterimol/B1: 2.51045  Sterimol/B2: 3.0815  Sterimol/B3: 3.7951
  Sterimol/B4: 5.47118  Sterimol/L: 17.4182 
 
 Surface and Volume Properties
  Accessible surface: 551.959  Positive charged surface: 191.679  Negative charged surface: 360.28  Volume: 282.625
  Hydrophobic surface: 422.469  Hydrophilic surface: 129.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.