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OAKWOOD-ZINC02566019

 MMsINC code: MMs02546289
Type: Neutral
Formula: C7H4Cl2O2
SMILES:   Clc1cc(Cl)cc(O)c1C=O
InChI:   InChI=1/C7H4Cl2O2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-3,11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.2276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.013 g/mol  logS: -2.49762  SlogP: 2.5115  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0109986  Sterimol/B1: 2.11927  Sterimol/B2: 2.2496  Sterimol/B3: 2.75023
  Sterimol/B4: 6.16783  Sterimol/L: 10.2337 
 
 Surface and Volume Properties
  Accessible surface: 329.56  Positive charged surface: 130.612  Negative charged surface: 198.948  Volume: 147.375
  Hydrophobic surface: 233.266  Hydrophilic surface: 96.294
 
 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.