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APOLLO-ZINC02151853

 MMsINC code: MMs00050576
Type: Neutral
Formula: C14H8Cl4N2O2
SMILES:   Clc1ccc(Oc2ncc(NC(=O)C(Cl)=C(Cl)Cl)cc2)cc1
InChI:   InChI=1/C14H8Cl4N2O2/c15-8-1-4-10(5-2-8)22-11-6-3-9(7-19-11)20-14(21)12(16)13(17)18/h1-7H,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.1825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.042 g/mol  logS: -6.14581  SlogP: 5.5691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524003  Sterimol/B1: 2.4639  Sterimol/B2: 3.96169  Sterimol/B3: 4.51066
  Sterimol/B4: 4.66502  Sterimol/L: 18.5639 
 
 Surface and Volume Properties
  Accessible surface: 573.694  Positive charged surface: 212.152  Negative charged surface: 361.542  Volume: 291.875
  Hydrophobic surface: 526.99  Hydrophilic surface: 46.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.