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ENAMINE-ZINC03311582

 MMsINC code: MMs01364237
Type: Neutral
Formula: C16H8Cl4N2O2
SMILES:   Clc1ccc(Cl)nc1Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1
InChI:   InChI=1/C16H8Cl4N2O2/c17-11-5-7-13(19)21-15(11)23-9-1-2-10(4-3-9)24-16-12(18)6-8-14(20)22-16/h1-8H

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Potential Energy
Epot(MMFF94)=84.1717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.064 g/mol  logS: -6.61622  SlogP: 6.6748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052236  Sterimol/B1: 2.54107  Sterimol/B2: 4.78481  Sterimol/B3: 4.82833
  Sterimol/B4: 5.56969  Sterimol/L: 16.7022 
 
 Surface and Volume Properties
  Accessible surface: 612.647  Positive charged surface: 203.817  Negative charged surface: 408.83  Volume: 314.75
  Hydrophobic surface: 581.901  Hydrophilic surface: 30.746
 
 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.