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PUBCHEM-ZINC06068797

 MMsINC code: MMs03521690
Type: Neutral
Formula: C7H6Cl2O2
SMILES:   Clc1c(C)c(Cl)c(O)cc1O
InChI:   InChI=1/C7H6Cl2O2/c1-3-6(8)4(10)2-5(11)7(3)9/h2,10-11H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.5443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.029 g/mol  logS: -2.29003  SlogP: 2.71302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439523  Sterimol/B1: 2.02137  Sterimol/B2: 2.48871  Sterimol/B3: 4.74408
  Sterimol/B4: 4.74439  Sterimol/L: 8.80421 
 
 Surface and Volume Properties
  Accessible surface: 335.2  Positive charged surface: 149.535  Negative charged surface: 185.666  Volume: 151
  Hydrophobic surface: 244.434  Hydrophilic surface: 90.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.