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APOLLO-ZINC00123929

 MMsINC code: MMs00043068
Type: Neutral
Formula: C11H7Cl2NO2
SMILES:   Clc1cc(Cl)ccc1-c1noc(c1)C(=O)C
InChI:   InChI=1/C11H7Cl2NO2/c1-6(15)11-5-10(14-16-11)8-3-2-7(12)4-9(8)13/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.1911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.088 g/mol  logS: -4.36018  SlogP: 3.851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00632245  Sterimol/B1: 2.33113  Sterimol/B2: 2.41486  Sterimol/B3: 3.99635
  Sterimol/B4: 4.65438  Sterimol/L: 15.1068 
 
 Surface and Volume Properties
  Accessible surface: 427.942  Positive charged surface: 162.865  Negative charged surface: 265.077  Volume: 209
  Hydrophobic surface: 367.181  Hydrophilic surface: 60.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.