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MDPI-ZINC02012697

 MMsINC code: MMs02176202
Type: Neutral
Formula: C8H2Cl4O2
SMILES:   Clc1c(Cl)c(Cl)c2c(c1Cl)C(OC2)=O
InChI:   InChI=1/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.3292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.914 g/mol  logS: -4.82617  SlogP: 4.237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255797  Sterimol/B1: 2.37788  Sterimol/B2: 2.37823  Sterimol/B3: 4.30656
  Sterimol/B4: 5.9949  Sterimol/L: 10.086 
 
 Surface and Volume Properties
  Accessible surface: 373.093  Positive charged surface: 101.935  Negative charged surface: 271.159  Volume: 185.875
  Hydrophobic surface: 296.253  Hydrophilic surface: 76.84
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.