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PUBCHEM-ZINC02047635

 MMsINC code: MMs02865492
Type: Neutral
Formula: C12H9Cl2NO
SMILES:   Clc1cc(Cl)ccc1Nc1ccccc1O
InChI:   InChI=1/C12H9Cl2NO/c13-8-5-6-10(9(14)7-8)15-11-3-1-2-4-12(11)16/h1-7,15-16H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.5878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.116 g/mol  logS: -4.11183  SlogP: 4.4426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0663543  Sterimol/B1: 2.50759  Sterimol/B2: 2.54474  Sterimol/B3: 3.54332
  Sterimol/B4: 6.33665  Sterimol/L: 13.165 
 
 Surface and Volume Properties
  Accessible surface: 439.846  Positive charged surface: 184.776  Negative charged surface: 255.069  Volume: 218.125
  Hydrophobic surface: 386.109  Hydrophilic surface: 53.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.