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ASINEX-ZINC01215226

 MMsINC code: MMs00231403
Type: Neutral
Formula: C19H16Cl2N2O4
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(OC)cc1OC
InChI:   InChI=1/C19H16Cl2N2O4/c1-10-16(18(23-27-10)17-12(20)5-4-6-13(17)21)19(24)22-14-8-7-11(25-2)9-15(14)26-3/h4-9H,1-3H3,(H,22,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.253 g/mol  logS: -6.27913  SlogP: 5.22632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188704  Sterimol/B1: 2.32652  Sterimol/B2: 3.64238  Sterimol/B3: 5.70944
  Sterimol/B4: 9.90828  Sterimol/L: 15.0403 
 
 Surface and Volume Properties
  Accessible surface: 620.641  Positive charged surface: 346.146  Negative charged surface: 274.495  Volume: 350.5
  Hydrophobic surface: 570.638  Hydrophilic surface: 50.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.