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MDPI-ZINC03851936

 MMsINC code: MMs02183583
Type: Neutral
Formula: C19H10Cl4O2
SMILES:   Clc1c(Cl)c(Cl)c2OC(Oc2c1Cl)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H10Cl4O2/c20-13-14(21)16(23)18-17(15(13)22)24-19(25-18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.4767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.099 g/mol  logS: -8.1634  SlogP: 7.2842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.302784  Sterimol/B1: 2.56412  Sterimol/B2: 5.14341  Sterimol/B3: 5.18878
  Sterimol/B4: 7.78698  Sterimol/L: 14.4496 
 
 Surface and Volume Properties
  Accessible surface: 582.704  Positive charged surface: 204.881  Negative charged surface: 377.823  Volume: 330.375
  Hydrophobic surface: 581.264  Hydrophilic surface: 1.4399999999999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.