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CHEMBLOCK-ZINC00169506

 MMsINC code: MMs00501980
Type: Neutral
Formula: C11H10ClNO2
SMILES:   ClCc1onc(c1)-c1ccc(OC)cc1
InChI:   InChI=1/C11H10ClNO2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-6H,7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.659 g/mol  logS: -3.36855  SlogP: 3.3554  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0166872  Sterimol/B1: 2.28257  Sterimol/B2: 2.38862  Sterimol/B3: 3.60297
  Sterimol/B4: 5.0396  Sterimol/L: 14.8224 
 
 Surface and Volume Properties
  Accessible surface: 430.982  Positive charged surface: 229.607  Negative charged surface: 201.375  Volume: 202.375
  Hydrophobic surface: 306.422  Hydrophilic surface: 124.56
 
 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.