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MAYBRIDGE-ZINC00076630

 MMsINC code: MMs02128133
Type: Neutral
Formula: C11H7Cl2NO2
SMILES:   Clc1cncc(Cl)c1Oc1ccc(O)cc1
InChI:   InChI=1/C11H7Cl2NO2/c12-9-5-14-6-10(13)11(9)16-8-3-1-7(15)2-4-8/h1-6,15H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.7745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.088 g/mol  logS: -3.01608  SlogP: 3.8863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162097  Sterimol/B1: 3.43652  Sterimol/B2: 4.17633  Sterimol/B3: 4.22703
  Sterimol/B4: 4.44127  Sterimol/L: 11.8711 
 
 Surface and Volume Properties
  Accessible surface: 424.862  Positive charged surface: 207.547  Negative charged surface: 217.315  Volume: 209.5
  Hydrophobic surface: 355.593  Hydrophilic surface: 69.269
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.