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NCID-ZINC01579944

 MMsINC code: MMs02237647
Type: Neutral
Formula: C12H8Cl2O2
SMILES:   Clc1c(-c2ccccc2)c(O)c(Cl)cc1O
InChI:   InChI=1/C12H8Cl2O2/c13-8-6-9(15)11(14)10(12(8)16)7-4-2-1-3-5-7/h1-6,15-16H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.8658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.1 g/mol  logS: -4.55594  SlogP: 4.0716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10638  Sterimol/B1: 3.0859  Sterimol/B2: 3.18579  Sterimol/B3: 4.45944
  Sterimol/B4: 4.95805  Sterimol/L: 12.143 
 
 Surface and Volume Properties
  Accessible surface: 425.534  Positive charged surface: 185.359  Negative charged surface: 238.552  Volume: 213.25
  Hydrophobic surface: 346.595  Hydrophilic surface: 78.939
 
 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.